data_6tdm_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6tdm _Structure_validation_residue.Date_analyzed 2020-08-07 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 ' 10' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo . . . . . 0 CA--C 1.535 0.571 0 CA-C-O 121.834 0.681 . . . . 0.0 113.65 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 tp -59.65 -31.31 46.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.373 1.069 . . . . 0.0 113.793 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.21 -37.29 86.83 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.348 -0.845 . . . . 0.0 112.473 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -72.69 -49.88 28.54 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.367 0.667 . . . . 0.0 112.098 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -67.81 -31.97 72.19 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.124 0.875 . . . . 0.0 112.302 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.9 t -62.5 -49.59 74.75 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.693 0.797 . . . . 0.0 111.812 168.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.18 90.11 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.323 -0.861 . . . . 0.0 111.74 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.53 -51.34 65.89 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.002 -0.999 . . . . 0.0 112.475 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.96 -33.85 76.75 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.689 1.586 . . . . 0.0 112.545 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -71.2 -35.3 71.5 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.465 0.706 . . . . 0.0 112.731 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.3 -38.18 81.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.105 1.362 . . . . 0.0 112.187 171.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -62.65 -27.38 69.18 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.218 -0.926 . . . . 0.0 113.171 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 66.8 mtm -96.06 3.22 53.54 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.349 1.46 . . . . 0.0 114.083 172.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.537 0 C-N-CA 125.354 1.454 . . . . 0.0 115.143 175.318 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 120.845 0.355 . . . . 0.0 111.803 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -67.39 -38.59 84.94 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.077 -1.015 . . . . 0.0 112.175 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -61.81 -50.52 71.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.212 1.005 . . . . 0.0 111.924 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.01 -43.27 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 112.16 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -59.2 -44.31 92.23 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.706 1.139 . . . . 0.0 112.123 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -64.71 -48.64 73.93 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.637 0.653 . . . . 0.0 112.387 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.51 -47.48 85.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.757 0.708 . . . . 0.0 112.258 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -78.02 -23.58 48.17 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -173.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.7 -39.67 66.83 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.371 -0.831 . . . . 0.0 112.216 165.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -62.91 -46.75 86.32 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.919 0.887 . . . . 0.0 112.147 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.2 p -62.9 -41.59 99.49 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.19 -41.46 99.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.228 1.011 . . . . 0.0 112.49 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.3 m -60.94 -41.08 95.54 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.3 -0.875 . . . . 0.0 111.815 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -67.28 -34.86 78.29 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.032 -1.042 . . . . 0.0 113.064 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.9 mt -57.42 -52.1 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.524 -0.735 . . . . 0.0 109.931 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.28 -37.88 89.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.826 0.85 . . . . 0.0 112.562 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -58.86 -48.31 81.8 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.727 1.211 . . . . 0.0 111.985 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.63 -41.42 83.95 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.411 0.684 . . . . 0.0 112.35 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.57 -41.42 96.3 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.866 0.757 . . . . 0.0 112.788 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.77 91.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.439 0.696 . . . . 0.0 112.3 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.29 84.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.336 0.654 . . . . 0.0 112.178 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 125.486 1.514 . . . . 0.0 111.531 177.32 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 CA--C 1.536 0.613 0 CA-C-O 122.009 0.754 . . . . 0.0 112.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.31 -30.36 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -63.72 -36.86 85.26 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.409 0.684 . . . . 0.0 112.016 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -71.37 -51.52 23.71 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.261 -0.899 . . . . 0.0 111.793 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.48 -32.15 73.67 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.712 -0.617 . . . . 0.0 112.492 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 55.2 m -70.11 -41.05 74.49 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.786 0.834 . . . . 0.0 112.801 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.58 -34.51 78.41 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.082 -1.011 . . . . 0.0 112.272 172.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.17 -49.25 68.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.103 0.961 . . . . 0.0 111.937 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.53 -32.91 74.56 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.631 1.56 . . . . 0.0 112.943 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -68.15 -44.33 76.25 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.798 0.726 . . . . 0.0 112.56 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.42 -25.44 59.44 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.84 -38.83 89.68 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.993 -1.067 . . . . 0.0 112.413 165.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 75.1 mtm . . . . . 0 CA--C 1.548 0.897 0 C-N-CA 124.822 1.249 . . . . 0.0 113.915 171.508 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -36.42 69.98 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.458 -0.776 . . . . 0.0 112.674 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -65.66 -31.64 72.77 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.07 0.948 . . . . 0.0 113.016 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -70.34 -49.55 48.18 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.276 -0.89 . . . . 0.0 111.008 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 10.2 tt -67.84 -40.41 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.61 0.764 . . . . 0.0 112.23 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -60.34 -27.68 67.56 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.936 1.243 . . . . 0.0 112.965 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -78.88 -63.19 1.47 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.958 0.799 . . . . 0.0 112.053 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.2 -39.44 86.33 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.588 0.631 . . . . 0.0 112.621 -169.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.2 -23.14 61.21 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.86 -40.45 24.78 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.165 0.986 . . . . 0.0 112.656 170.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -62.73 -47.99 81.17 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.983 0.913 . . . . 0.0 111.703 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 61.6 p -60.81 -39.02 87.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.51 -41.33 98.76 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.754 -1.216 . . . . 0.0 112.748 171.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.1 m -60.69 -40.09 90.91 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.317 -0.865 . . . . 0.0 111.555 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -66.7 -32.6 74.02 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.268 -0.895 . . . . 0.0 112.768 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.57 -53.66 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.697 1.135 . . . . 0.0 110.148 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.69 -39.79 89.79 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.755 0.822 . . . . 0.0 112.513 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -56.61 -52.42 64.92 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.821 1.648 . . . . 0.0 112.009 173.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.83 -32.12 63.55 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -61.33 -45.87 92.6 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.183 0.902 . . . . 0.0 112.124 168.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.0 97.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.097 0.559 . . . . 0.0 112.183 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.56 83.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.453 0.701 . . . . 0.0 112.692 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -61.26 -44.87 96.54 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.77 1.228 . . . . 0.0 111.533 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 123.639 0.776 . . . . 0.0 112.324 176.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 CA--C 1.54 0.778 0 CA-C-O 121.882 0.701 . . . . 0.0 113.769 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.38 -29.5 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -167.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -71.72 -17.56 62.2 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -80.35 -61.03 2.1 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.389 0.995 . . . . 0.0 111.005 169.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.34 -36.64 80.75 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -71.05 -31.74 68.26 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.731 0.812 . . . . 0.0 112.524 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.87 -36.84 62.28 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.281 0.946 . . . . 0.0 111.886 171.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.23 -44.58 87.76 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.394 1.077 . . . . 0.0 112.174 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.52 -34.38 78.13 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.419 1.463 . . . . 0.0 112.337 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -64.2 -45.64 87.4 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.794 0.838 . . . . 0.0 111.124 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -64.94 -40.64 95.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.65 1.58 . . . . 0.0 112.992 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -65.23 -33.2 75.42 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.368 -0.832 . . . . 0.0 112.653 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.0 mtm -81.86 5.71 18.0 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.803 1.241 . . . . 0.0 113.815 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.279 0 C-N-CA 125.655 1.598 . . . . 0.0 116.725 172.662 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -70.93 -42.31 70.04 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.274 -0.891 . . . . 0.0 112.321 170.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -64.7 -47.49 78.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.751 1.221 . . . . 0.0 112.603 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 tt -61.2 -41.72 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.539 0.736 . . . . 0.0 112.093 175.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -62.65 -47.91 81.63 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.342 0.974 . . . . 0.0 111.174 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -64.36 -36.93 85.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.429 0.691 . . . . 0.0 112.436 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.3 mt -66.5 -52.0 50.65 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.626 0.648 . . . . 0.0 111.692 172.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.56 -23.78 58.82 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.085 0.954 . . . . 0.0 113.471 -170.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.34 89.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.619 0.768 . . . . 0.0 112.996 171.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -68.17 -44.86 75.0 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.582 0.753 . . . . 0.0 112.137 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.9 p -64.27 -40.43 95.97 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.5 -44.23 97.45 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.699 -1.25 . . . . 0.0 111.778 172.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.1 m -59.81 -39.6 85.55 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 121.548 -0.72 . . . . 0.0 111.726 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.91 -35.76 79.03 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.518 -0.739 . . . . 0.0 112.886 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.4 -49.33 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.631 1.105 . . . . 0.0 109.829 172.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -58.83 -43.95 90.81 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.203 0.601 . . . . 0.0 111.818 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -48.5 78.93 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.65 1.18 . . . . 0.0 111.861 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.43 -45.52 83.53 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.492 0.717 . . . . 0.0 112.535 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -62.07 -44.0 97.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.666 0.666 . . . . 0.0 111.859 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.26 95.94 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.172 0.589 . . . . 0.0 112.127 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -48.44 76.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.859 0.863 . . . . 0.0 112.035 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 . . . . . 0 CA--C 1.542 0.658 0 C-N-CA 124.747 1.219 . . . . 0.0 111.597 177.77 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 CA--C 1.538 0.683 0 CA-C-O 121.425 0.51 . . . . 0.0 113.052 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.7 tt -57.66 -34.01 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -172.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -60.19 -30.34 69.29 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.787 0.835 . . . . 0.0 112.608 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -79.92 -58.52 3.13 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.822 0.849 . . . . 0.0 111.053 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.34 -27.21 69.16 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.67 -1.269 . . . . 0.0 113.855 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 37.8 m -73.84 -33.84 64.29 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.552 0.741 . . . . 0.0 112.182 174.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.19 -39.49 63.14 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.61 -0.681 . . . . 0.0 112.367 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.83 -39.88 90.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.622 0.769 . . . . 0.0 112.347 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.52 -37.85 87.96 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.16 1.345 . . . . 0.0 112.323 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -67.88 -40.03 83.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.444 1.097 . . . . 0.0 111.385 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -64.65 -42.28 95.54 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.61 1.564 . . . . 0.0 112.271 173.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -66.69 -31.08 71.52 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.156 0.889 . . . . 0.0 113.047 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 36.9 mtt . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 172.744 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 110.693 -0.114 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -41.32 79.03 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.71 -34.75 79.06 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.22 -0.925 . . . . 0.0 112.696 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -70.68 -46.38 63.28 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.993 0.917 . . . . 0.0 111.462 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.2 tt -64.48 -42.09 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 118.603 -0.713 . . . . 0.0 111.57 175.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -55.75 -56.76 16.69 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.403 1.001 . . . . 0.0 111.672 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -69.62 -38.79 77.36 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.726 -0.609 . . . . 0.0 112.424 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 43.2 tp -70.76 -39.76 73.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.522 1.056 . . . . 0.0 112.816 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 28.7 tp -73.48 -34.92 65.57 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.509 0.724 . . . . 0.0 111.991 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.2 73.32 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 171.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -59.26 -43.84 92.43 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.838 1.255 . . . . 0.0 111.936 176.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 56.7 m -66.4 -43.11 86.71 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 172.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.08 -38.23 85.51 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.445 -0.784 . . . . 0.0 111.947 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 89.9 m -60.82 -44.7 96.57 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.03 -1.044 . . . . 0.0 111.667 173.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -68.01 -34.09 75.84 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.549 0.74 . . . . 0.0 112.68 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.1 -51.3 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.273 1.029 . . . . 0.0 110.72 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -60.7 -42.99 98.31 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.928 0.891 . . . . 0.0 112.405 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -55.78 -49.36 73.38 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.488 1.515 . . . . 0.0 111.684 174.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.15 -46.67 79.97 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.74 0.816 . . . . 0.0 112.546 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -63.28 -40.62 97.88 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.853 0.861 . . . . 0.0 112.083 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.16 84.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.96 0.904 . . . . 0.0 112.343 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.97 94.09 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.437 0.695 . . . . 0.0 112.351 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -63.16 -43.09 99.27 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.371 1.068 . . . . 0.0 111.421 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 N--CA 1.471 0.605 0 C-N-CA 123.903 0.881 . . . . 0.0 113.24 177.522 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo . . . . . 0 CA--C 1.539 0.774 0 CA-C-O 121.901 0.709 . . . . 0.0 113.289 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 tt -60.78 -31.0 48.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -63.42 -36.81 84.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.794 0.838 . . . . 0.0 112.587 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -72.23 -51.84 19.2 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.543 0.737 . . . . 0.0 111.64 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -64.98 -30.87 71.89 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.631 1.105 . . . . 0.0 112.553 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -65.51 -43.57 89.67 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.896 1.278 . . . . 0.0 112.227 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.04 74.66 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.229 -1.545 . . . . 0.0 112.8 173.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.79 -45.38 82.61 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.961 0.905 . . . . 0.0 111.684 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.27 -32.96 74.89 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.692 1.133 . . . . 0.0 112.289 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -66.09 -52.57 47.48 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.72 0.691 . . . . 0.0 112.592 173.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.24 -26.71 64.93 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -66.28 -27.33 67.85 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.173 -0.954 . . . . 0.0 112.926 169.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.4 mtt -91.8 2.58 56.41 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.11 1.364 . . . . 0.0 113.451 172.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.704 0 C-N-CA 124.846 1.213 . . . . 0.0 115.24 -179.081 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.9 mmt . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -69.1 -23.92 64.07 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.853 -1.154 . . . . 0.0 113.525 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -76.55 -49.01 17.47 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.203 1.001 . . . . 0.0 111.366 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -66.87 -38.9 82.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.854 1.262 . . . . 0.0 111.977 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.01 -47.2 83.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.18 0.9 . . . . 0.0 111.428 174.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -68.81 -41.7 78.29 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.218 -0.926 . . . . 0.0 113.011 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.38 -49.68 72.89 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.597 0.635 . . . . 0.0 111.662 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.5 tp -75.7 -34.68 60.4 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.641 0.777 . . . . 0.0 112.837 -170.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.16 72.69 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.74 -43.86 95.22 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.399 1.08 . . . . 0.0 111.424 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -65.53 -41.75 92.74 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.46 -41.03 93.29 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.801 0.841 . . . . 0.0 112.303 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.9 m -61.72 -40.77 96.22 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.138 0.975 . . . . 0.0 111.808 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -68.14 -34.65 76.74 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.946 -1.096 . . . . 0.0 113.23 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.0 mt -59.08 -48.46 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.453 -0.779 . . . . 0.0 110.074 170.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -62.57 -40.3 96.42 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.221 1.008 . . . . 0.0 112.552 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -59.08 -48.69 80.67 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.345 1.058 . . . . 0.0 112.084 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.83 -42.61 94.8 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.611 0.765 . . . . 0.0 111.98 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -61.6 -41.81 97.98 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.694 -0.67 . . . . 0.0 112.441 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.02 96.73 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.709 0.686 . . . . 0.0 112.146 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.15 93.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.145 0.578 . . . . 0.0 112.44 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 . . . . . 0 CA--C 1.548 0.869 0 C-N-CA 124.829 1.252 . . . . 0.0 111.161 178.267 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 CA--C 1.536 0.583 0 CA-C-O 122.049 0.77 . . . . 0.0 112.803 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.2 tt -57.32 -32.87 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.169 0.988 . . . . 0.0 113.452 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.5 -25.14 67.34 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.642 1.177 . . . . 0.0 112.769 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -80.71 -59.35 2.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.536 0.734 . . . . 0.0 111.408 170.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.53 -32.8 74.6 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.713 -1.242 . . . . 0.0 113.593 -171.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.0 t -69.85 -23.46 63.29 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.443 1.097 . . . . 0.0 112.896 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.19 -36.26 19.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.501 1.121 . . . . 0.0 112.802 169.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.09 -39.12 88.73 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.336 -0.853 . . . . 0.0 112.628 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.95 -35.37 79.9 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.365 0.984 . . . . 0.0 112.458 174.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -72.68 -40.79 65.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.061 0.945 . . . . 0.0 111.153 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.77 -39.46 94.32 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.383 1.473 . . . . 0.0 112.479 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.51 -33.57 76.21 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.612 0.765 . . . . 0.0 112.467 171.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 31.9 mtm . . . . . 0 CA--C 1.548 0.867 0 C-N-CA 124.804 1.242 . . . . 0.0 113.972 170.069 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 20.7 mmt -57.35 -35.56 70.08 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.429 1.092 . . . . 0.0 113.426 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.03 -23.12 65.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -88.32 -47.59 8.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.722 1.209 . . . . 0.0 111.372 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 tt -61.35 -39.54 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.665 1.186 . . . . 0.0 112.282 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -61.93 -42.14 98.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.938 0.79 . . . . 0.0 112.336 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -63.83 -43.44 96.19 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.503 0.721 . . . . 0.0 112.073 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.39 -50.37 67.89 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.541 0.737 . . . . 0.0 111.751 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.0 tp -73.83 -27.97 61.37 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.566 0.746 . . . . 0.0 112.975 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.21 74.15 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.563 -0.71 . . . . 0.0 112.729 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -65.55 -43.01 91.21 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.051 1.341 . . . . 0.0 111.826 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 75.3 p -68.0 -38.02 82.13 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.352 0.661 . . . . 0.0 112.579 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.11 -42.19 96.96 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.941 0.897 . . . . 0.0 111.965 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 77.0 m -59.36 -37.32 77.6 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.563 0.745 . . . . 0.0 111.754 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -70.1 -29.24 66.15 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.094 -1.004 . . . . 0.0 113.302 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.38 -48.23 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.447 1.021 . . . . 0.0 109.749 171.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.05 -41.65 97.01 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.085 0.954 . . . . 0.0 111.967 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.87 86.97 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.61 1.564 . . . . 0.0 112.354 172.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -45.93 91.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.451 0.7 . . . . 0.0 111.765 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -61.16 -43.68 98.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.468 0.707 . . . . 0.0 112.058 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.62 -43.91 97.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.549 0.74 . . . . 0.0 112.382 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.1 88.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.598 0.759 . . . . 0.0 112.668 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -62.81 -42.69 99.82 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 111.225 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 CA--C 1.541 0.62 0 O-C-N 120.687 -1.258 . . . . 0.0 112.031 173.74 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo . . . . . 0 CA--C 1.539 0.77 0 CA-C-O 122.004 0.752 . . . . 0.0 113.931 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 tp -60.29 -31.39 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.995 1.318 . . . . 0.0 113.965 -168.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -72.34 -29.74 64.09 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.322 -0.861 . . . . 0.0 113.054 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -72.12 -52.21 17.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.83 -1.169 . . . . 0.0 111.703 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.07 -31.53 72.46 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.417 -0.802 . . . . 0.0 112.503 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -62.6 -50.03 72.9 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.151 0.98 . . . . 0.0 111.819 169.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.07 72.27 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.724 -1.235 . . . . 0.0 112.545 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.33 -52.89 50.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.249 1.02 . . . . 0.0 111.782 173.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.88 -32.19 73.28 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.701 1.591 . . . . 0.0 112.772 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -64.17 -51.92 61.49 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.912 0.885 . . . . 0.0 111.351 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.93 -26.98 63.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.029 0.831 . . . . 0.0 113.143 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -68.5 -31.47 70.76 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.523 1.056 . . . . 0.0 112.486 170.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 73.4 mtm -78.72 -5.26 52.7 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 166.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.485 0 C-N-CA 124.87 1.224 . . . . 0.0 114.563 -174.526 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -82.36 -23.1 35.19 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.89 0.876 . . . . 0.0 113.134 172.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -74.08 -44.56 53.62 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.884 -1.135 . . . . 0.0 111.422 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 tt -60.64 -40.48 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.869 0.867 . . . . 0.0 112.073 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -55.97 -53.7 53.73 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.99 0.814 . . . . 0.0 111.52 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -64.76 -47.83 76.76 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.496 0.718 . . . . 0.0 112.179 -177.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 tp -68.24 -38.7 82.09 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.808 -0.557 . . . . 0.0 112.474 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.3 tp -73.45 -33.96 65.16 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.748 0.819 . . . . 0.0 112.3 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.6 88.39 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.39 -0.819 . . . . 0.0 112.893 172.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.05 -45.51 93.23 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.479 1.036 . . . . 0.0 111.854 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.1 t -58.0 -46.32 85.43 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 173.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.13 -42.1 98.91 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.145 -0.972 . . . . 0.0 112.916 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -61.8 -37.48 84.54 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.078 -1.014 . . . . 0.0 111.73 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.67 -35.13 79.42 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.229 -0.919 . . . . 0.0 113.158 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.6 mt -58.52 -50.83 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.781 0.833 . . . . 0.0 109.632 172.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -64.24 -38.47 91.16 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.386 1.074 . . . . 0.0 112.636 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -59.79 -44.46 93.94 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.428 1.091 . . . . 0.0 112.14 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.69 -50.04 64.16 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.067 0.947 . . . . 0.0 111.751 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.19 -38.07 89.72 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.47 96.79 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.379 0.672 . . . . 0.0 111.903 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.96 67.79 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.612 0.765 . . . . 0.0 112.18 175.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 125.028 1.331 . . . . 0.0 111.674 -178.909 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo . . . . . 0 CA--C 1.54 0.812 0 CA-C-O 121.747 0.644 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.4 tt -60.74 -30.79 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -62.71 -35.72 80.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.328 0.651 . . . . 0.0 112.057 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -74.72 -51.26 14.72 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.687 0.795 . . . . 0.0 111.939 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.27 -33.04 74.48 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.225 -0.922 . . . . 0.0 112.794 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.0 t -61.68 -46.6 89.04 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.669 0.788 . . . . 0.0 111.866 167.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.67 81.28 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.767 -1.208 . . . . 0.0 112.951 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.2 -50.39 66.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.007 0.923 . . . . 0.0 111.558 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.9 -30.46 70.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.195 1.362 . . . . 0.0 112.547 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -67.8 -45.87 73.55 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.23 1.012 . . . . 0.0 112.068 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -66.8 -33.17 75.03 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.751 0.82 . . . . 0.0 112.847 175.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -61.63 -40.57 95.34 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.201 0.91 . . . . 0.0 112.452 170.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 124.632 1.173 . . . . 0.0 114.16 176.916 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 120.805 0.336 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -38.74 71.13 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.291 1.036 . . . . 0.0 112.623 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.07 -24.81 66.79 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -74.32 -52.73 11.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.543 0.737 . . . . 0.0 110.442 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.7 tt -63.83 -40.24 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.99 0.916 . . . . 0.0 112.085 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -56.83 -48.49 77.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.571 1.078 . . . . 0.0 111.626 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -67.36 -48.46 67.41 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.981 0.513 . . . . 0.0 111.743 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.47 -42.33 95.98 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.961 0.904 . . . . 0.0 112.742 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 29.0 tp -74.49 -31.75 62.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.622 1.169 . . . . 0.0 112.596 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.07 -32.46 69.13 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.468 -0.77 . . . . 0.0 112.823 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.94 -48.34 74.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.286 1.034 . . . . 0.0 112.342 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 69.1 p -64.12 -36.44 84.05 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.675 0.79 . . . . 0.0 112.739 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.3 -40.27 95.76 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.033 -1.042 . . . . 0.0 112.628 171.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 95.1 m -60.36 -37.56 81.09 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.281 -0.887 . . . . 0.0 111.961 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -68.44 -34.99 76.96 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.278 -0.889 . . . . 0.0 113.085 175.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.12 -52.17 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.558 1.072 . . . . 0.0 109.482 170.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -59.28 -39.52 83.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.321 0.648 . . . . 0.0 112.278 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -59.81 -52.76 64.06 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.217 1.007 . . . . 0.0 112.098 174.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.22 -35.12 66.26 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.478 0.711 . . . . 0.0 112.903 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -63.57 -44.0 95.36 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.924 0.784 . . . . 0.0 111.471 173.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.79 90.21 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.8 82.3 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.423 0.689 . . . . 0.0 112.389 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.1 -36.23 82.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.238 0.615 . . . . 0.0 111.96 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 . . . . . 0 CA--C 1.542 0.666 0 O-C-N 121.08 -1.012 . . . . 0.0 112.585 173.901 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 CA--C 1.535 0.555 0 CA-C-O 121.851 0.688 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.5 tt -61.26 -30.17 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -169.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -63.61 -28.62 70.05 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -76.13 -56.59 4.51 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.543 -0.723 . . . . 0.0 111.807 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.13 -34.19 75.89 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.401 -0.812 . . . . 0.0 112.926 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 m -71.83 -25.08 61.83 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.839 0.856 . . . . 0.0 113.242 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.13 -29.11 23.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.262 1.025 . . . . 0.0 112.8 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mp -61.48 -43.63 98.52 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.115 0.966 . . . . 0.0 112.188 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.06 -37.03 85.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.074 0.852 . . . . 0.0 112.788 176.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -72.86 -39.41 66.51 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.851 0.861 . . . . 0.0 112.666 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -76.85 -23.8 52.68 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.937 0.79 . . . . 0.0 112.981 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -68.94 -29.2 67.4 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 121.013 -1.055 . . . . 0.0 112.784 167.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.7 mtm -82.59 -10.52 58.93 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.025 1.33 . . . . 0.0 114.207 167.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.375 0 C-N-CA 124.933 1.254 . . . . 0.0 114.873 -178.777 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 9.0 tpt . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -81.02 -43.62 19.31 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.917 0.887 . . . . 0.0 112.065 170.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -65.9 -38.55 89.02 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.849 0.86 . . . . 0.0 112.939 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 tt -59.92 -40.02 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.844 0.858 . . . . 0.0 112.138 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -64.84 -43.24 93.7 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.557 0.617 . . . . 0.0 111.458 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -64.99 -49.87 68.58 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.392 0.677 . . . . 0.0 112.097 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.67 -44.16 91.26 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.765 0.826 . . . . 0.0 111.939 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 tp -72.45 -34.4 67.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.21 83.02 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.499 0.719 . . . . 0.0 112.222 170.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -57.05 -45.27 83.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.537 1.135 . . . . 0.0 112.065 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 t -61.93 -42.48 99.15 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.536 0.734 . . . . 0.0 112.634 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.22 -42.51 98.72 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.399 -0.813 . . . . 0.0 112.959 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 95.4 m -58.17 -39.58 79.23 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 118.899 0.772 . . . . 0.0 113.033 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -68.62 -32.2 71.9 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.31 -48.56 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.921 0.889 . . . . 0.0 110.319 174.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -65.7 -37.67 87.1 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.6 1.16 . . . . 0.0 112.594 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.4 ttp85 -59.89 -46.99 87.59 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.195 0.998 . . . . 0.0 111.982 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.67 -43.99 87.62 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.39 0.676 . . . . 0.0 112.263 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -64.97 -37.71 88.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.642 0.655 . . . . 0.0 112.464 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.48 95.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.347 0.659 . . . . 0.0 111.596 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.78 94.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.61 0.764 . . . . 0.0 112.993 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 124.196 0.998 . . . . 0.0 111.384 176.118 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo . . . . . 0 CA--C 1.533 0.465 0 CA-C-O 121.665 0.61 . . . . 0.0 113.584 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.3 tt -63.02 -32.2 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -172.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -70.54 -23.45 62.63 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.262 -0.899 . . . . 0.0 112.64 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -76.91 -50.35 13.5 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.273 -0.892 . . . . 0.0 111.732 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.89 -30.3 70.87 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.431 -0.793 . . . . 0.0 112.216 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.3 t -63.31 -42.86 99.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.979 1.311 . . . . 0.0 112.429 167.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.29 -33.51 76.15 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.321 -1.487 . . . . 0.0 113.413 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.96 -45.19 82.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.728 1.211 . . . . 0.0 112.157 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.08 -34.29 71.03 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.1 1.318 . . . . 0.0 112.439 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -64.9 -47.02 79.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.32 0.648 . . . . 0.0 112.634 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.42 -27.32 65.17 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -64.18 -36.92 85.62 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.958 0.799 . . . . 0.0 112.419 170.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 33.9 mtt . . . . . 0 N--CA 1.474 0.764 0 C-N-CA 124.803 1.241 . . . . 0.0 113.242 174.43 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.161 0.029 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.44 -35.2 69.79 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.989 -1.069 . . . . 0.0 112.873 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -67.22 -24.23 65.81 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -77.1 -49.87 14.32 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.117 -0.99 . . . . 0.0 111.409 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 13.2 tt -64.63 -40.58 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.717 0.807 . . . . 0.0 112.021 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.29 -39.54 87.25 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.403 1.001 . . . . 0.0 111.798 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -74.24 -49.5 23.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.832 0.742 . . . . 0.0 112.349 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.99 -40.39 87.35 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.08 0.952 . . . . 0.0 113.124 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.53 -28.12 60.83 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.642 0.777 . . . . 0.0 112.59 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.27 -31.74 64.26 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 121.209 -0.932 . . . . 0.0 113.057 169.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -62.8 -49.62 74.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.079 1.352 . . . . 0.0 111.564 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 77.0 p -65.67 -37.39 86.38 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.678 0.791 . . . . 0.0 112.873 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.55 -39.68 95.03 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.135 0.88 . . . . 0.0 112.615 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 99.9 m -64.19 -39.96 95.1 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.636 -1.29 . . . . 0.0 111.632 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -66.6 -28.93 68.89 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.519 1.128 . . . . 0.0 112.495 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.62 -60.32 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 120.26 1.391 . . . . 0.0 109.559 164.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -57.15 -42.41 80.97 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.641 0.776 . . . . 0.0 112.671 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -68.32 -32.69 72.98 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.78 -39.72 56.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.086 0.955 . . . . 0.0 112.174 174.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -59.48 -43.5 93.26 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.587 0.63 . . . . 0.0 111.256 171.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.63 90.5 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.17 0.988 . . . . 0.0 112.696 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.71 98.45 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.364 0.983 . . . . 0.0 112.921 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.69 -40.44 97.12 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.28 1.032 . . . . 0.0 111.467 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 CA--C 1.55 0.943 0 O-C-N 121.16 -0.963 . . . . 0.0 113.351 176.381 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo . . . . . 0 CA--C 1.539 0.74 0 CA-C-O 122.2 0.833 . . . . 0.0 113.198 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 tt -65.31 -31.54 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -71.64 -26.4 62.54 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.418 -0.801 . . . . 0.0 112.528 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -71.99 -52.01 19.11 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.778 -1.202 . . . . 0.0 111.071 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.05 -33.02 74.86 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.016 0.826 . . . . 0.0 112.589 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -66.99 -42.43 85.06 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.74 0.816 . . . . 0.0 112.4 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.67 81.89 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.513 -1.367 . . . . 0.0 113.001 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.01 -51.71 60.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.886 0.875 . . . . 0.0 111.709 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.01 -34.05 76.72 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.324 1.42 . . . . 0.0 112.465 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -72.53 -39.62 67.39 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.565 -0.709 . . . . 0.0 112.202 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -69.1 -34.51 75.2 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.633 0.773 . . . . 0.0 112.801 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -63.05 -33.65 75.89 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.024 -1.047 . . . . 0.0 112.304 170.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.7 mtm -81.46 -0.02 39.81 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.101 1.361 . . . . 0.0 114.457 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.402 0 N-CA-C 115.83 1.092 . . . . 0.0 115.83 176.064 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -74.43 -33.56 62.99 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.116 -0.99 . . . . 0.0 112.382 173.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -73.73 -45.44 52.01 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.588 0.755 . . . . 0.0 112.354 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -62.33 -42.0 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.64 -0.662 . . . . 0.0 112.242 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -60.91 -44.89 96.54 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.784 0.72 . . . . 0.0 110.877 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -67.88 -51.2 50.85 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.06 -45.02 90.63 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.19 -0.944 . . . . 0.0 112.148 -176.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -73.49 -25.64 60.54 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.43 50.07 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 168.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -66.49 -45.68 78.8 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.761 -1.212 . . . . 0.0 111.776 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 p -64.56 -36.01 82.83 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.76 -41.79 98.15 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.352 0.978 . . . . 0.0 111.905 171.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.1 m -62.29 -37.3 85.01 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.346 -0.846 . . . . 0.0 111.956 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -66.64 -35.52 80.37 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.093 -1.004 . . . . 0.0 113.358 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.7 mt -60.18 -48.12 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.958 0.799 . . . . 0.0 109.988 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -60.81 -41.33 95.48 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.928 0.891 . . . . 0.0 112.209 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -63.51 -47.29 82.31 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.426 1.09 . . . . 0.0 112.311 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.18 -37.31 80.83 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.455 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.62 -46.12 91.47 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.324 0.965 . . . . 0.0 112.28 170.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.21 96.96 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.277 0.631 . . . . 0.0 112.674 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.07 94.09 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.8 0.84 . . . . 0.0 112.611 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 . . . . . 0 CA--C 1.549 0.938 0 C-N-CA 123.543 0.737 . . . . 0.0 111.142 175.482 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 CA--C 1.538 0.677 0 CA-C-O 122.239 0.85 . . . . 0.0 113.231 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 15.2 tt -67.36 -27.91 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -167.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -69.6 -27.88 65.47 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.123 -0.986 . . . . 0.0 112.549 172.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -73.08 -49.62 27.51 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.099 0.96 . . . . 0.0 112.106 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.81 -31.99 72.98 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.082 -1.011 . . . . 0.0 112.766 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.1 t -64.68 -38.59 91.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.119 0.968 . . . . 0.0 112.631 169.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.99 83.64 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.706 -1.246 . . . . 0.0 112.482 171.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.13 -45.94 91.33 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.162 0.985 . . . . 0.0 112.872 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.12 -35.45 80.53 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.764 1.166 . . . . 0.0 111.997 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -68.43 -40.08 81.3 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.466 1.106 . . . . 0.0 111.273 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -67.79 -33.58 75.1 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.186 1.394 . . . . 0.0 112.958 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -64.06 -26.66 68.65 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.82 -1.175 . . . . 0.0 112.788 169.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 59.9 mtm . . . . . 0 CA--C 1.548 0.879 0 C-N-CA 125.928 1.691 . . . . 0.0 113.657 170.592 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 121.01 0.434 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 10.0 tpt -64.81 -19.47 65.86 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.072 0.949 . . . . 0.0 113.549 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -78.52 -34.92 46.97 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.542 1.137 . . . . 0.0 112.698 168.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -70.44 -38.48 74.54 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.281 -0.887 . . . . 0.0 112.538 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 16.7 tt -60.11 -41.42 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 123.984 0.914 . . . . 0.0 111.827 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -61.31 -46.11 91.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.912 0.778 . . . . 0.0 111.15 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -65.06 -52.32 56.44 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.52 0.728 . . . . 0.0 112.67 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.73 -45.66 85.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.809 0.844 . . . . 0.0 112.06 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.4 tp -70.61 -32.92 70.44 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.113 0.565 . . . . 0.0 112.213 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.39 75.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.747 0.819 . . . . 0.0 113.05 169.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -65.49 -44.06 88.24 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.179 0.9 . . . . 0.0 111.687 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 66.0 m -62.22 -42.41 99.28 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 172.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.17 -42.69 95.52 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.763 0.825 . . . . 0.0 112.138 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 97.5 m -60.83 -40.77 94.03 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.417 -0.802 . . . . 0.0 111.85 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -69.49 -35.91 76.01 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.472 -0.768 . . . . 0.0 113.04 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.55 -51.68 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.295 0.952 . . . . 0.0 110.078 170.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -60.94 -40.38 93.04 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.85 0.86 . . . . 0.0 112.436 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 45.9 ttm180 -60.31 -47.72 84.83 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.564 1.146 . . . . 0.0 112.328 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.9 -39.66 79.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -61.1 -43.59 98.65 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.823 0.738 . . . . 0.0 111.999 173.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.94 99.18 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.722 0.809 . . . . 0.0 112.402 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.26 89.09 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.077 0.551 . . . . 0.0 112.462 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -62.07 -46.1 90.61 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.676 1.19 . . . . 0.0 111.067 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 . . . . . 0 CA--C 1.54 0.575 0 O-C-N 120.897 -1.127 . . . . 0.0 112.615 178.104 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 CA--C 1.545 1.03 0 CA-C-O 122.068 0.778 . . . . 0.0 113.959 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.1 -34.46 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.858 1.263 . . . . 0.0 113.597 -167.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -69.35 -30.3 68.29 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.471 0.708 . . . . 0.0 112.738 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -70.2 -56.2 7.4 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.159 0.89 . . . . 0.0 111.721 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.55 -32.66 74.37 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.725 -1.234 . . . . 0.0 113.033 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -67.89 -41.29 82.96 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.396 0.678 . . . . 0.0 112.542 171.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.0 86.17 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.35 -1.469 . . . . 0.0 112.428 173.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -63.32 -51.73 64.81 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.103 0.961 . . . . 0.0 111.593 175.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.26 -36.84 85.41 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.884 1.22 . . . . 0.0 112.255 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -67.56 -46.26 73.22 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 118.519 -0.753 . . . . 0.0 111.74 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.56 -25.39 60.36 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.539 1.063 . . . . 0.0 113.323 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -65.48 -20.35 66.32 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 121.197 -0.939 . . . . 0.0 113.346 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 mtm -100.52 8.52 43.45 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.185 1.794 . . . . 0.0 113.544 168.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.44 0 C-N-CA 125.594 1.569 . . . . 0.0 115.626 179.256 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.3 mmt . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -65.34 -35.09 79.92 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.974 -1.079 . . . . 0.0 112.645 172.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -72.9 -41.85 64.2 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.696 1.198 . . . . 0.0 112.277 -176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.12 -41.27 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.741 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -58.49 -53.32 59.67 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.819 1.191 . . . . 0.0 112.519 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.96 -35.79 82.3 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.76 -40.07 63.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.314 1.046 . . . . 0.0 112.29 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.6 tp -74.82 -26.98 60.09 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.268 1.027 . . . . 0.0 113.009 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.14 -33.25 73.15 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.343 -0.848 . . . . 0.0 112.817 167.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -61.92 -51.07 69.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.887 1.275 . . . . 0.0 111.919 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.6 p -66.11 -37.05 84.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.03 0.932 . . . . 0.0 113.054 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.57 -40.51 87.56 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.289 -0.882 . . . . 0.0 111.726 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.8 m -62.07 -39.34 92.11 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.434 -0.791 . . . . 0.0 111.842 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -68.15 -36.14 79.2 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.774 -1.204 . . . . 0.0 113.199 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.91 -45.59 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.319 0.648 . . . . 0.0 110.516 171.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -65.17 -40.78 94.75 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.867 0.867 . . . . 0.0 112.919 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -57.56 -47.69 81.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.823 0.849 . . . . 0.0 112.043 172.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.76 -46.96 87.35 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.682 0.793 . . . . 0.0 112.183 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -67.52 -34.56 77.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.455 0.702 . . . . 0.0 112.638 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.1 92.05 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.073 0.851 . . . . 0.0 112.042 171.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.79 91.32 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.009 0.924 . . . . 0.0 112.702 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 124.663 1.185 . . . . 0.0 111.222 177.06 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo . . . . . 0 CA--C 1.538 0.721 0 CA-C-O 121.49 0.538 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 14.8 tt -57.15 -32.64 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -169.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.53 -34.65 71.22 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.207 1.003 . . . . 0.0 112.859 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -77.93 -47.75 17.91 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.702 0.801 . . . . 0.0 112.324 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.59 -30.28 68.99 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.653 1.115 . . . . 0.0 112.356 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.5 t -64.77 -46.58 81.53 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.958 0.903 . . . . 0.0 111.698 168.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.42 87.09 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.099 -1.001 . . . . 0.0 111.804 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.1 -48.39 73.86 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.16 0.984 . . . . 0.0 112.283 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.1 -33.96 76.97 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.146 1.339 . . . . 0.0 112.261 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -73.49 -35.81 65.7 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.655 -0.653 . . . . 0.0 112.577 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -64.66 -38.65 91.72 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.194 1.398 . . . . 0.0 112.183 172.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.96 -35.54 77.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.729 0.812 . . . . 0.0 112.596 171.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 44.2 mtt . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 124.823 1.249 . . . . 0.0 113.91 174.145 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -37.2 75.87 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.498 0.719 . . . . 0.0 112.83 -176.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -66.54 -27.86 68.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.335 1.054 . . . . 0.0 112.932 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -74.5 -49.59 21.53 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.193 -0.942 . . . . 0.0 110.837 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 13.5 tt -67.01 -40.07 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.682 0.793 . . . . 0.0 112.05 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -57.3 -49.81 74.93 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.291 0.95 . . . . 0.0 112.069 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.45 -46.29 80.44 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 38.3 tp -71.62 -38.71 70.76 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.693 -0.629 . . . . 0.0 112.353 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 22.3 tp -73.28 -31.5 64.1 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.608 0.763 . . . . 0.0 112.27 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.07 79.3 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.157 -0.965 . . . . 0.0 112.677 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -61.77 -47.2 86.24 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.395 0.998 . . . . 0.0 111.811 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 94.3 p -64.88 -40.49 95.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.93 -40.9 97.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.121 -0.987 . . . . 0.0 112.005 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 99.2 m -60.93 -39.19 88.51 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.331 -0.855 . . . . 0.0 111.444 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.89 -33.24 74.34 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.154 -0.966 . . . . 0.0 112.965 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.38 -49.92 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 121.0 -1.063 . . . . 0.0 110.55 170.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.21 -46.61 75.92 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.4 1.08 . . . . 0.0 111.355 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.63 -47.26 87.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.491 1.516 . . . . 0.0 111.749 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.75 -41.03 72.33 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.511 0.725 . . . . 0.0 112.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -61.9 -41.0 97.38 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.099 0.863 . . . . 0.0 111.896 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.41 83.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.58 0.752 . . . . 0.0 112.404 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.69 88.99 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.816 0.846 . . . . 0.0 112.431 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.05 -40.95 91.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.672 1.189 . . . . 0.0 111.466 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 123.171 0.588 . . . . 0.0 112.246 174.034 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo . . . . . 0 CA--C 1.539 0.728 0 CA-C-O 121.332 0.472 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.29 -33.53 37.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.0 -31.78 72.19 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.343 1.057 . . . . 0.0 112.901 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -76.27 -53.7 7.84 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.878 0.871 . . . . 0.0 111.949 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.3 -28.83 69.0 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.149 -0.969 . . . . 0.0 113.139 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -69.33 -29.91 67.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.987 0.915 . . . . 0.0 112.553 172.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.71 -36.76 57.0 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.935 -1.103 . . . . 0.0 112.123 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.29 -48.09 79.57 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.448 1.099 . . . . 0.0 111.75 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.4 -38.34 89.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.382 0.992 . . . . 0.0 111.927 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -73.38 -40.66 64.16 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -69.85 -29.28 66.48 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.867 0.758 . . . . 0.0 112.608 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -67.19 -26.49 66.65 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.902 -1.123 . . . . 0.0 113.231 172.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.2 mtt -88.95 -5.02 58.27 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.159 1.384 . . . . 0.0 113.62 173.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 C-N-CA 124.428 1.013 . . . . 0.0 114.406 -175.854 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.1 tpt . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -77.22 -27.53 53.44 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 168.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -80.77 -39.24 27.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.046 0.938 . . . . 0.0 111.836 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 tt -60.16 -38.88 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.446 1.098 . . . . 0.0 112.133 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -58.63 -50.45 73.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.22 0.918 . . . . 0.0 111.693 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -65.44 -45.4 83.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.396 0.678 . . . . 0.0 112.13 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 tp -73.86 -31.92 63.39 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -76.28 -34.98 59.11 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.167 -0.958 . . . . 0.0 111.781 172.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.66 -32.02 73.06 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 171.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -57.66 -47.6 81.82 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.24 1.816 . . . . 0.0 111.228 173.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -66.77 -43.24 84.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 171.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.88 -37.53 82.48 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.191 0.905 . . . . 0.0 112.375 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -60.97 -40.43 93.35 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.258 -0.901 . . . . 0.0 111.763 174.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -71.96 -34.43 68.98 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.409 -0.807 . . . . 0.0 112.865 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.14 -50.31 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.582 0.753 . . . . 0.0 110.13 170.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -61.62 -41.95 98.2 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.813 0.845 . . . . 0.0 112.44 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -56.97 -50.04 73.88 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.507 1.123 . . . . 0.0 111.645 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.79 -47.84 79.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.637 0.775 . . . . 0.0 112.309 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -63.01 -42.2 99.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.828 0.851 . . . . 0.0 112.433 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.49 93.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.52 0.728 . . . . 0.0 112.332 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.78 82.98 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 123.732 0.813 . . . . 0.0 111.541 179.789 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 CA--C 1.536 0.593 0 CA-C-O 121.752 0.647 . . . . 0.0 112.069 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 tt -59.95 -30.04 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -59.99 -30.08 68.89 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.581 0.752 . . . . 0.0 112.768 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -78.9 -50.99 10.3 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.417 -0.802 . . . . 0.0 112.558 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.7 -33.35 75.67 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.946 1.248 . . . . 0.0 112.644 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t -62.92 -37.45 87.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.529 1.132 . . . . 0.0 112.812 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.3 -38.67 65.79 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.202 -0.937 . . . . 0.0 112.036 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.17 -45.2 92.92 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.297 1.039 . . . . 0.0 112.548 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.11 -37.01 85.5 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.977 1.262 . . . . 0.0 112.002 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -70.45 -37.34 74.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.004 0.922 . . . . 0.0 113.049 174.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -65.66 -39.06 90.95 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.733 1.213 . . . . 0.0 112.445 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.8 -37.32 86.95 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.615 -0.678 . . . . 0.0 112.423 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 40.8 mtt . . . . . 0 N--CA 1.477 0.882 0 C-N-CA 124.161 0.984 . . . . 0.0 113.56 172.336 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.653 0.263 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -33.22 70.31 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -69.25 -40.23 77.99 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.932 -1.105 . . . . 0.0 112.501 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.65 -42.15 91.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.136 0.974 . . . . 0.0 111.464 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.69 -40.52 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 123.797 0.839 . . . . 0.0 112.12 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.15 -40.62 90.5 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.017 0.826 . . . . 0.0 111.868 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.54 -51.13 69.84 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.872 0.76 . . . . 0.0 112.282 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.65 -42.85 90.92 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.417 0.687 . . . . 0.0 111.778 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.5 tp -73.38 -34.53 65.6 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.57 95.73 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.853 0.861 . . . . 0.0 112.054 169.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -58.94 -46.83 87.04 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.731 1.212 . . . . 0.0 111.723 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 7.8 t -64.31 -44.29 92.05 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.432 0.693 . . . . 0.0 112.745 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.58 -41.92 98.11 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.909 -1.119 . . . . 0.0 112.606 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 67.1 m -58.64 -40.04 82.27 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.501 -0.749 . . . . 0.0 112.178 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -68.89 -31.24 70.03 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.167 -0.958 . . . . 0.0 113.474 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.28 -49.99 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.151 -0.968 . . . . 0.0 109.768 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -62.99 -40.08 96.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.087 0.955 . . . . 0.0 112.073 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -61.75 -46.66 88.63 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.774 1.23 . . . . 0.0 111.607 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.78 -43.88 82.8 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.649 0.78 . . . . 0.0 112.155 176.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -59.03 -44.58 91.76 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.953 0.797 . . . . 0.0 112.552 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.34 -45.54 93.98 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.616 0.766 . . . . 0.0 112.354 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.32 88.14 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.273 0.629 . . . . 0.0 112.666 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -65.46 -43.83 89.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.599 0.76 . . . . 0.0 111.352 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 CA--C 1.541 0.603 0 O-C-N 121.066 -1.021 . . . . 0.0 112.371 176.421 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 CA--C 1.533 0.456 0 CA-C-O 121.284 0.452 . . . . 0.0 113.135 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.7 tt -64.55 -26.18 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -168.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.24 -26.3 66.32 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.879 1.271 . . . . 0.0 113.245 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -83.07 -56.24 3.91 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.148 0.979 . . . . 0.0 112.11 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.69 -33.99 74.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.944 1.247 . . . . 0.0 112.578 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.5 m -73.53 -20.85 60.54 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.16 0.984 . . . . 0.0 113.419 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.56 -37.08 32.08 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.202 0.91 . . . . 0.0 111.658 166.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.68 -41.49 99.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.034 0.834 . . . . 0.0 112.153 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.92 -36.54 84.3 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.798 1.181 . . . . 0.0 112.719 174.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -64.66 -48.67 73.91 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.877 0.871 . . . . 0.0 111.036 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -60.18 -42.38 94.87 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.369 1.468 . . . . 0.0 113.17 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.57 -32.65 74.35 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.142 -0.973 . . . . 0.0 112.654 174.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.0 mtm -85.79 4.43 36.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.194 1.398 . . . . 0.0 113.85 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.712 0 N-CA-C 115.762 1.065 . . . . 0.0 115.762 176.221 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mmt . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -71.0 -32.54 69.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.784 0.834 . . . . 0.0 113.044 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -76.05 -43.31 44.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.15 0.98 . . . . 0.0 111.429 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -69.6 -40.15 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.276 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.31 -43.11 88.0 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.4 1.0 . . . . 0.0 111.959 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -65.76 -53.49 39.8 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.838 0.745 . . . . 0.0 112.126 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.12 -46.27 88.1 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.502 0.592 . . . . 0.0 111.927 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -74.68 -23.41 58.62 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.922 0.889 . . . . 0.0 113.11 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.03 -39.44 41.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.833 0.742 . . . . 0.0 112.924 167.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -59.74 -46.97 87.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.421 1.088 . . . . 0.0 111.362 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.4 p -63.37 -45.14 92.5 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.99 -39.55 82.16 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.112 0.965 . . . . 0.0 112.668 176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.0 m -61.13 -38.72 87.4 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.665 0.786 . . . . 0.0 111.922 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.96 -34.38 75.23 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.22 -48.38 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.822 0.737 . . . . 0.0 109.914 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.79 -37.89 89.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.257 1.023 . . . . 0.0 113.062 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -60.76 -43.05 98.49 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.667 1.187 . . . . 0.0 112.959 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.6 -43.45 76.44 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.791 0.723 . . . . 0.0 111.912 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.08 -32.29 73.36 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.05 86.14 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.128 0.877 . . . . 0.0 112.685 175.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.72 -43.56 58.84 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.859 0.863 . . . . 0.0 112.449 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 . . . . . 0 CA--C 1.546 0.825 0 C-N-CA 123.723 0.809 . . . . 0.0 112.315 -177.67 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo . . . . . 0 CA--C 1.538 0.712 0 CA-C-O 121.342 0.476 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 17.6 tt -61.1 -28.18 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.028 0.931 . . . . 0.0 113.492 -173.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.68 -36.47 74.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.541 1.136 . . . . 0.0 112.599 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -77.09 -49.54 15.06 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.707 0.803 . . . . 0.0 112.258 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.85 -35.07 79.43 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.594 1.088 . . . . 0.0 112.192 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t -70.97 -38.67 72.77 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.29 83.08 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.566 -1.334 . . . . 0.0 112.331 171.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.85 -50.35 69.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.674 0.79 . . . . 0.0 111.461 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.23 -32.7 74.29 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 120.122 1.328 . . . . 0.0 112.871 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -65.49 -46.69 78.75 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.367 -0.833 . . . . 0.0 111.397 173.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -66.41 -32.37 73.71 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.821 0.848 . . . . 0.0 112.887 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -61.49 -42.75 99.27 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.14 0.976 . . . . 0.0 112.65 172.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 64.2 mtm . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 177.704 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.617 0.246 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -37.37 71.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.728 0.811 . . . . 0.0 112.4 -178.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -67.19 -26.43 66.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.832 0.853 . . . . 0.0 113.203 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -73.85 -51.49 16.09 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.358 -0.838 . . . . 0.0 110.473 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 11.6 tt -62.81 -38.64 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.042 0.937 . . . . 0.0 112.105 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -56.82 -53.38 58.55 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.665 1.12 . . . . 0.0 111.963 175.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.79 -46.49 81.86 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.501 0.72 . . . . 0.0 111.977 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 54.7 tp -67.5 -42.87 82.15 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.754 0.822 . . . . 0.0 112.834 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.6 tp -72.21 -34.51 68.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.503 0.721 . . . . 0.0 112.1 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.46 78.48 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.454 -0.779 . . . . 0.0 113.01 170.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -62.49 -44.92 95.21 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.704 1.202 . . . . 0.0 111.612 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 54.4 p -65.85 -38.88 90.04 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.629 -0.67 . . . . 0.0 112.775 172.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.54 -45.07 88.72 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.162 0.985 . . . . 0.0 112.71 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.6 t -64.86 -29.7 70.66 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.843 -1.161 . . . . 0.0 112.825 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.37 -36.03 80.54 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.041 -1.037 . . . . 0.0 112.821 173.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 90.2 mt -58.76 -47.8 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 121.218 -0.926 . . . . 0.0 109.78 170.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -61.08 -42.25 98.17 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.567 0.747 . . . . 0.0 112.584 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -58.19 -50.16 74.5 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.179 0.9 . . . . 0.0 111.763 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.19 -37.05 66.62 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -61.19 -46.8 88.97 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.717 0.69 . . . . 0.0 111.358 171.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.93 93.83 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.414 0.686 . . . . 0.0 112.492 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.25 83.18 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.401 -0.812 . . . . 0.0 112.583 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -63.3 -42.53 99.05 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.805 0.842 . . . . 0.0 111.116 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 . . . . . 0 CA--C 1.541 0.626 0 O-C-N 121.2 -0.938 . . . . 0.0 112.412 174.008 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 CA--C 1.538 0.704 0 N-CA-C 113.324 0.471 . . . . 0.0 113.324 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.6 tt -58.3 -37.17 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.42 -29.18 70.51 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.562 0.745 . . . . 0.0 112.671 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -75.31 -54.22 7.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.711 0.805 . . . . 0.0 111.219 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.14 -32.47 74.05 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.031 0.832 . . . . 0.0 112.522 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -65.1 -32.12 73.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.004 1.322 . . . . 0.0 113.232 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.32 -39.03 33.81 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.011 -1.056 . . . . 0.0 112.605 171.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.5 -39.54 88.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.179 0.992 . . . . 0.0 112.132 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.82 -39.36 91.53 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.972 1.26 . . . . 0.0 111.944 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -68.86 -43.21 75.87 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.162 0.985 . . . . 0.0 111.398 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -68.58 -30.63 69.42 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.938 0.895 . . . . 0.0 113.271 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -62.13 -39.58 93.06 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.86 -1.15 . . . . 0.0 111.859 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 mtm -79.9 7.63 8.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.631 1.573 . . . . 0.0 114.17 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.511 0 N-CA-C 116.046 1.178 . . . . 0.0 116.046 172.683 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.9 -30.18 70.27 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.328 -0.857 . . . . 0.0 112.819 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -71.88 -45.92 59.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.52 0.728 . . . . 0.0 110.986 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -67.21 -37.57 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.602 0.761 . . . . 0.0 111.839 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -56.11 -48.96 75.16 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.188 0.904 . . . . 0.0 111.56 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -65.2 -47.08 78.16 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.985 0.914 . . . . 0.0 112.834 -177.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.74 -47.5 80.8 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.589 0.631 . . . . 0.0 111.816 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.42 -36.73 71.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.72 -38.15 80.02 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.55 -0.719 . . . . 0.0 112.597 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.99 -42.5 99.21 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.969 0.908 . . . . 0.0 111.007 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 m -62.5 -44.87 95.32 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.76 -38.67 82.45 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.367 1.067 . . . . 0.0 112.018 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.6 m -59.95 -39.89 87.13 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.392 -0.818 . . . . 0.0 112.072 176.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.89 -36.14 77.71 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.104 -0.997 . . . . 0.0 113.149 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.2 -50.76 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 O-C-N 121.33 -0.856 . . . . 0.0 109.99 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.15 -42.63 95.28 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.996 0.919 . . . . 0.0 112.384 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -57.16 -50.24 73.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.821 1.249 . . . . 0.0 112.38 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.62 -38.04 67.89 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.28 0.632 . . . . 0.0 112.691 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.99 -41.35 99.55 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.102 0.864 . . . . 0.0 112.205 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.16 97.45 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.16 95.47 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.544 0.738 . . . . 0.0 112.594 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 . . . . . 0 CA--C 1.543 0.684 0 C-N-CA 124.098 0.959 . . . . 0.0 111.059 175.413 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo . . . . . 0 CA--C 1.536 0.614 0 CA-C-O 121.677 0.616 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.5 tt -58.81 -31.92 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -64.12 -34.6 78.43 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.212 -0.93 . . . . 0.0 112.431 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -73.97 -53.26 10.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.875 0.761 . . . . 0.0 111.73 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.77 -31.06 71.46 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.162 -0.961 . . . . 0.0 113.154 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 39.7 t -69.07 -42.8 75.73 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.338 0.655 . . . . 0.0 111.089 171.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.94 89.62 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.578 -1.326 . . . . 0.0 111.6 172.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.87 -46.07 86.57 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.846 0.748 . . . . 0.0 112.605 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.01 -34.17 77.14 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.49 1.495 . . . . 0.0 112.376 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -66.1 -37.41 85.71 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.181 0.992 . . . . 0.0 111.602 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -69.05 -31.78 70.8 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.532 1.533 . . . . 0.0 113.081 174.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.98 -34.53 77.95 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.27 1.395 . . . . 0.0 112.318 169.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 51.0 mtt . . . . . 0 CA--C 1.55 0.961 0 C-N-CA 124.48 1.112 . . . . 0.0 113.661 172.075 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 37.7 t . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.9 tpt -64.64 -28.16 69.42 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -75.33 -38.04 60.42 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.503 -0.748 . . . . 0.0 112.163 169.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -61.49 -46.52 89.66 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.26 1.024 . . . . 0.0 111.583 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.8 tt -62.82 -41.04 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 121.643 -0.66 . . . . 0.0 112.725 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -60.48 -48.68 80.71 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.343 0.974 . . . . 0.0 110.957 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.15 -45.8 86.9 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.263 0.625 . . . . 0.0 112.165 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 46.9 tp -68.06 -40.77 82.72 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.809 0.844 . . . . 0.0 112.709 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.7 tp -77.98 -26.01 48.45 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.449 1.1 . . . . 0.0 112.329 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.95 79.5 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.518 -0.739 . . . . 0.0 112.224 168.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -57.5 -46.59 83.58 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.314 -0.866 . . . . 0.0 112.618 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 51.3 p -65.24 -38.1 89.31 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.49 -44.27 91.5 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.956 0.902 . . . . 0.0 112.204 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 74.3 m -59.93 -41.44 91.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.831 0.852 . . . . 0.0 111.79 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -66.31 -33.68 76.28 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.116 -0.99 . . . . 0.0 113.223 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.9 -49.29 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.469 0.708 . . . . 0.0 110.033 170.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -65.91 -40.38 91.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.692 1.197 . . . . 0.0 112.347 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 34.9 mtp-105 -58.91 -47.59 84.45 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.429 1.092 . . . . 0.0 112.326 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.38 -36.08 73.91 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.53 -42.21 95.9 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.699 0.681 . . . . 0.0 112.42 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.3 99.23 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 174.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.6 85.08 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.748 0.819 . . . . 0.0 112.246 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -61.24 -40.53 94.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.703 1.201 . . . . 0.0 111.44 177.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.083 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 CA--C 1.534 0.518 0 CA-C-O 122.138 0.807 . . . . 0.0 112.933 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 tt -56.32 -35.11 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.654 1.182 . . . . 0.0 113.842 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -64.42 -26.35 68.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.764 0.826 . . . . 0.0 113.203 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -81.16 -55.99 4.38 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.452 -0.78 . . . . 0.0 112.234 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.66 -32.16 73.56 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.901 -1.124 . . . . 0.0 113.284 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -74.25 -23.86 59.21 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.55 -39.4 46.04 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.693 0.679 . . . . 0.0 111.923 167.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.68 -41.45 90.7 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.663 0.785 . . . . 0.0 112.387 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.43 -34.78 78.72 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.22 0.918 . . . . 0.0 112.544 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -69.7 -42.69 73.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.583 0.629 . . . . 0.0 111.487 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -59.59 -38.48 81.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.974 1.31 . . . . 0.0 112.442 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -66.64 -28.53 68.55 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 172.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.5 mtm -92.94 -2.8 55.47 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.168 1.387 . . . . 0.0 114.719 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 114.659 -172.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -68.92 -27.84 66.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.09 0.956 . . . . 0.0 113.197 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -75.91 -48.0 23.06 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.475 -0.765 . . . . 0.0 110.98 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -66.62 -35.43 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.486 -0.759 . . . . 0.0 112.029 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -61.28 -25.83 67.36 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.696 1.135 . . . . 0.0 113.288 174.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -85.24 -50.33 7.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.884 0.874 . . . . 0.0 111.792 170.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 tp -66.96 -45.32 78.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.538 1.135 . . . . 0.0 113.241 -171.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.9 tp -72.85 -23.46 60.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.895 1.278 . . . . 0.0 112.765 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.63 -30.48 56.91 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.739 0.816 . . . . 0.0 112.637 169.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -69.09 -41.0 78.08 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.165 -0.959 . . . . 0.0 112.913 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 p -65.28 -39.29 92.38 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.108 0.563 . . . . 0.0 111.999 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.17 -41.89 93.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.785 1.234 . . . . 0.0 112.191 171.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.7 m -60.74 -41.3 95.11 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.391 0.676 . . . . 0.0 111.9 174.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -66.45 -36.52 82.98 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.494 -0.754 . . . . 0.0 112.459 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -59.69 -52.58 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.446 1.021 . . . . 0.0 110.472 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -56.74 -43.77 81.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.517 0.727 . . . . 0.0 112.477 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 46.1 ttm180 -58.13 -52.39 65.74 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.217 1.407 . . . . 0.0 112.111 176.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.43 -34.34 65.4 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.791 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.67 -44.51 96.82 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.432 1.015 . . . . 0.0 111.808 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.83 91.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.669 0.788 . . . . 0.0 112.342 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.98 86.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.68 0.792 . . . . 0.0 112.126 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.435 1.494 . . . . 0.0 111.584 176.594 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 CA--C 1.539 0.739 0 CA-C-O 121.449 0.521 . . . . 0.0 112.393 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.6 tt -66.61 -25.26 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -171.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -65.51 -28.11 68.95 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.604 -0.685 . . . . 0.0 112.161 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -73.88 -48.36 31.49 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.666 -1.271 . . . . 0.0 112.589 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.47 -34.15 76.59 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.908 -1.12 . . . . 0.0 112.307 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.0 t -63.13 -41.9 99.4 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.804 0.842 . . . . 0.0 112.458 169.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.81 72.36 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.86 -1.15 . . . . 0.0 112.824 174.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.2 -46.52 77.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.039 0.836 . . . . 0.0 111.931 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.66 -32.65 72.64 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.298 1.408 . . . . 0.0 112.898 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -61.63 -46.66 88.85 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.189 0.904 . . . . 0.0 111.25 170.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -65.24 -41.92 93.88 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.262 1.425 . . . . 0.0 113.088 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -67.23 -34.04 76.63 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.189 -0.945 . . . . 0.0 113.022 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 77.4 mtm . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 171.814 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 111.138 0.051 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 11.1 mmt -57.67 -33.1 67.98 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -68.2 -25.75 65.39 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.178 -0.951 . . . . 0.0 113.354 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -75.38 -49.71 18.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.501 1.046 . . . . 0.0 110.893 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.63 -41.65 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.658 1.183 . . . . 0.0 111.716 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -59.11 -46.59 87.93 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.325 0.966 . . . . 0.0 111.83 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -66.04 -51.44 58.23 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.714 0.688 . . . . 0.0 112.853 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.91 -42.07 98.65 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.487 -0.758 . . . . 0.0 112.53 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.97 -30.63 62.6 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.272 0.629 . . . . 0.0 112.523 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.85 77.12 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 170.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -60.34 -51.01 71.36 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.441 1.018 . . . . 0.0 111.791 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 66.9 p -64.31 -39.5 94.04 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 176.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.9 -39.62 95.06 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.697 -1.252 . . . . 0.0 112.078 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 84.1 m -61.52 -38.0 85.77 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.303 -0.873 . . . . 0.0 111.388 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -69.14 -33.84 74.06 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.142 -0.974 . . . . 0.0 112.931 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.9 -49.6 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 120.963 -1.086 . . . . 0.0 109.681 171.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -54.76 -47.06 74.36 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.853 0.861 . . . . 0.0 111.435 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.75 -49.69 76.48 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.167 1.387 . . . . 0.0 112.246 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.83 -44.3 81.46 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.35 0.66 . . . . 0.0 112.748 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -66.73 -39.5 88.0 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.855 0.752 . . . . 0.0 111.907 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.35 83.22 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.218 0.607 . . . . 0.0 112.463 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.4 92.8 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.628 0.771 . . . . 0.0 112.39 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -57.77 -50.38 73.45 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.935 1.294 . . . . 0.0 111.073 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 123.596 0.758 . . . . 0.0 112.67 178.606 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo . . . . . 0 CA--C 1.538 0.715 0 CA-C-O 121.827 0.678 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.3 tt -59.72 -31.87 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -173.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.3 -27.38 68.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.965 0.906 . . . . 0.0 113.049 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -85.37 -52.75 5.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.46 0.704 . . . . 0.0 112.036 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.93 -32.01 73.4 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.524 1.056 . . . . 0.0 113.198 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -67.24 -29.43 69.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.524 0.73 . . . . 0.0 112.875 173.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.71 -33.5 31.09 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.358 -0.839 . . . . 0.0 112.808 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.03 -44.99 95.53 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.275 -0.891 . . . . 0.0 111.65 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.88 -37.2 85.96 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.623 1.101 . . . . 0.0 112.191 178.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -66.7 -44.85 80.58 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.605 0.762 . . . . 0.0 111.51 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.05 -33.47 74.63 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -67.5 -28.23 67.67 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.223 1.009 . . . . 0.0 112.802 172.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.0 mtt -82.3 -9.01 59.64 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.14 1.376 . . . . 0.0 113.354 170.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.61 0 C-N-CA 124.923 1.249 . . . . 0.0 115.923 -178.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.9 tpt . . . . . 0 CA--C 1.544 0.719 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -71.23 -31.57 67.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.082 0.953 . . . . 0.0 113.018 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -71.72 -47.33 54.58 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.73 0.812 . . . . 0.0 111.186 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -63.58 -38.93 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.37 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -58.44 -49.08 78.59 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.822 1.192 . . . . 0.0 111.545 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -63.57 -49.67 72.48 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.931 0.787 . . . . 0.0 112.502 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.02 -46.84 82.66 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.716 0.689 . . . . 0.0 112.019 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.46 -33.29 62.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 122.933 0.493 . . . . 0.0 112.305 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.38 -42.42 83.41 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.971 0.805 . . . . 0.0 112.414 170.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -64.58 -41.48 96.24 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.383 1.073 . . . . 0.0 111.544 178.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 t -62.45 -46.61 87.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.257 1.023 . . . . 0.0 112.897 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.81 -38.72 89.18 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.166 -0.959 . . . . 0.0 112.78 175.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.7 m -59.91 -41.75 92.39 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.106 -0.996 . . . . 0.0 112.061 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.66 -32.74 73.63 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.321 -0.862 . . . . 0.0 113.009 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -56.68 -49.26 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 121.378 -0.826 . . . . 0.0 109.788 171.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.19 -36.88 84.23 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.027 0.931 . . . . 0.0 113.036 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -61.86 -45.48 93.6 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.193 0.906 . . . . 0.0 112.404 173.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.54 -40.16 80.81 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.436 0.695 . . . . 0.0 112.073 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -65.52 -39.71 92.14 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.869 0.759 . . . . 0.0 112.053 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.29 96.89 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.477 0.711 . . . . 0.0 112.142 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.7 91.68 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 124.372 1.069 . . . . 0.0 111.459 176.13 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 CA--C 1.538 0.697 0 N-CA-C 114.044 0.748 . . . . 0.0 114.044 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 tp -55.61 -37.39 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.278 1.431 . . . . 0.0 113.225 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -66.59 -39.34 88.37 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.922 0.889 . . . . 0.0 112.158 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.95 -48.84 42.29 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.985 0.914 . . . . 0.0 112.067 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.76 -33.08 74.85 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.802 1.183 . . . . 0.0 112.734 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.9 t -61.67 -48.62 79.97 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.959 0.903 . . . . 0.0 111.755 168.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.94 80.86 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.55 -1.344 . . . . 0.0 113.021 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.7 -51.85 56.09 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.528 1.131 . . . . 0.0 112.042 175.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.75 -33.52 76.16 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.419 1.463 . . . . 0.0 112.465 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -62.24 -54.5 39.96 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.928 0.891 . . . . 0.0 111.588 174.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.91 -26.14 63.08 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -61.94 -42.43 99.09 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.17 -0.956 . . . . 0.0 111.948 169.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 73.0 mtm . . . . . 0 CA--C 1.545 0.769 0 C-N-CA 124.713 1.205 . . . . 0.0 114.169 172.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -37.08 68.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.23 1.012 . . . . 0.0 113.0 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -64.36 -28.29 69.6 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -79.76 -45.2 19.29 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.145 -0.972 . . . . 0.0 110.924 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.16 -38.94 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.613 0.765 . . . . 0.0 111.985 172.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -58.9 -49.77 76.54 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.488 1.04 . . . . 0.0 111.667 172.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.71 -48.63 79.87 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.321 0.964 . . . . 0.0 112.964 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.01 -53.05 62.75 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.793 0.837 . . . . 0.0 112.477 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.38 -35.15 65.88 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.56 74.77 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.614 0.643 . . . . 0.0 112.61 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.9 -44.01 81.89 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.177 0.899 . . . . 0.0 111.556 174.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 22.2 t -58.95 -43.35 91.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.891 0.477 . . . . 0.0 112.273 173.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.17 -42.39 99.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.304 1.041 . . . . 0.0 112.295 172.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 70.8 m -60.17 -39.54 86.8 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.855 -1.153 . . . . 0.0 111.798 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -65.64 -32.97 74.83 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.441 1.019 . . . . 0.0 112.686 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.78 -50.02 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.694 1.134 . . . . 0.0 109.493 169.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.33 -42.33 95.4 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.948 0.899 . . . . 0.0 112.229 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -59.0 -46.81 87.25 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.258 0.936 . . . . 0.0 112.187 175.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.87 -35.31 62.31 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -62.33 -40.83 97.67 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.002 0.819 . . . . 0.0 111.689 170.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.69 85.45 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.87 89.99 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.412 -0.805 . . . . 0.0 112.137 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -63.24 -41.85 99.12 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.827 0.851 . . . . 0.0 111.426 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 . . . . . 0 CA--C 1.543 0.688 0 O-C-N 121.292 -0.88 . . . . 0.0 112.405 172.293 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo . . . . . 0 CA--C 1.539 0.74 0 N-CA-C 113.932 0.705 . . . . 0.0 113.932 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.6 tp -59.54 -37.25 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.155 0.982 . . . . 0.0 113.061 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -69.57 -29.59 67.19 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -72.39 -52.41 16.15 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.91 0.884 . . . . 0.0 111.272 177.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.89 -30.87 71.54 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.282 -0.887 . . . . 0.0 112.857 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -66.95 -33.06 74.75 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.321 1.048 . . . . 0.0 112.674 170.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.96 -33.34 61.9 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.078 -1.638 . . . . 0.0 112.942 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.15 -46.23 78.19 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.077 0.951 . . . . 0.0 111.452 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.33 -33.06 74.98 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.734 1.152 . . . . 0.0 112.54 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -66.04 -50.26 64.82 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.068 0.849 . . . . 0.0 112.48 173.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -72.87 -27.19 61.77 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -66.34 -34.44 77.98 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.084 -1.01 . . . . 0.0 111.927 167.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.2 mtm -80.62 3.64 21.24 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.313 1.445 . . . . 0.0 113.801 169.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.589 0 C-N-CA 125.801 1.667 . . . . 0.0 115.902 175.101 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.8 mmt . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.27 -28.37 69.68 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -82.22 -45.05 15.57 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.488 1.115 . . . . 0.0 111.34 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.66 -40.43 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.584 0.753 . . . . 0.0 111.668 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.37 -50.74 72.79 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.899 0.772 . . . . 0.0 111.679 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -69.28 -39.19 78.51 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.36 -46.62 87.85 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.197 0.908 . . . . 0.0 111.841 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 tp -74.48 -30.69 61.93 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.309 0.644 . . . . 0.0 112.719 -176.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.66 83.2 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.424 -0.798 . . . . 0.0 112.606 170.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -63.83 -45.48 89.39 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.765 0.826 . . . . 0.0 112.247 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.1 p -66.06 -39.53 90.16 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.73 -41.9 98.25 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.936 -1.102 . . . . 0.0 111.991 172.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.3 m -59.83 -41.55 91.6 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.547 -0.721 . . . . 0.0 111.597 176.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -64.35 -35.3 80.42 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.278 -0.889 . . . . 0.0 113.082 177.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.51 -49.65 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.428 1.013 . . . . 0.0 109.571 172.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -59.37 -43.59 92.84 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.44 0.696 . . . . 0.0 112.315 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -60.75 -47.57 85.68 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.245 1.018 . . . . 0.0 112.704 175.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.28 -45.62 83.73 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.26 -42.14 99.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.762 0.825 . . . . 0.0 111.59 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.82 90.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.567 0.747 . . . . 0.0 112.362 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.38 92.48 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.536 -0.727 . . . . 0.0 112.657 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 124.732 1.213 . . . . 0.0 111.12 177.064 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 CA--C 1.536 0.61 0 N-CA-C 113.957 0.714 . . . . 0.0 113.957 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.9 tt -60.33 -35.73 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -168.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.75 -33.05 74.34 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.95 -57.42 5.04 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.733 0.813 . . . . 0.0 110.984 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.27 -29.52 70.83 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.33 0.968 . . . . 0.0 113.191 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 33.6 t -73.83 -35.2 64.8 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.915 0.886 . . . . 0.0 112.673 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.01 -31.54 58.97 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.073 -1.017 . . . . 0.0 112.616 172.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mp -62.7 -46.94 85.8 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.242 -0.911 . . . . 0.0 111.794 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.81 -35.8 82.27 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.388 0.994 . . . . 0.0 112.454 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -68.09 -41.18 82.24 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.762 0.825 . . . . 0.0 111.875 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -68.41 -32.96 73.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.835 0.854 . . . . 0.0 113.236 173.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -67.05 -25.67 66.37 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.637 -1.289 . . . . 0.0 113.102 170.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 36.3 mtt . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 125.919 1.688 . . . . 0.0 112.972 169.543 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 120.375 0.131 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -39.72 78.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.006 1.322 . . . . 0.0 113.179 -174.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -68.06 -27.63 66.68 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.418 -0.801 . . . . 0.0 112.63 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -72.46 -51.69 19.08 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.294 -0.879 . . . . 0.0 110.953 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.6 tt -63.97 -38.03 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.078 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -57.89 -45.11 86.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.184 1.357 . . . . 0.0 112.476 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -68.86 -47.02 66.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.493 0.588 . . . . 0.0 111.865 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 61.6 tp -67.18 -41.39 85.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.535 1.134 . . . . 0.0 113.32 -174.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.8 tp -79.25 -22.83 44.23 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.599 1.16 . . . . 0.0 112.732 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.88 -32.6 61.91 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.237 -0.914 . . . . 0.0 113.169 168.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -62.72 -42.48 99.67 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.894 1.278 . . . . 0.0 112.753 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 65.8 p -65.96 -45.47 81.62 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.183 0.593 . . . . 0.0 111.968 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.03 -38.31 82.37 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.803 1.241 . . . . 0.0 112.517 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.4 m -60.24 -40.65 91.0 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.97 0.908 . . . . 0.0 111.776 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -73.28 -33.38 65.19 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.045 -1.034 . . . . 0.0 112.735 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 96.2 mt -57.83 -50.22 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.899 0.88 . . . . 0.0 110.267 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -61.27 -42.48 98.7 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.182 0.993 . . . . 0.0 112.195 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -59.13 -47.47 85.16 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.996 1.318 . . . . 0.0 112.082 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.84 -45.72 84.92 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.411 0.684 . . . . 0.0 112.786 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -61.53 -41.72 97.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.269 0.628 . . . . 0.0 111.957 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.67 91.79 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.663 0.785 . . . . 0.0 112.493 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.24 91.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -63.13 -42.99 99.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.451 1.1 . . . . 0.0 111.515 177.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 . . . . . 0 CA--C 1.543 0.704 0 O-C-N 121.07 -1.018 . . . . 0.0 112.925 176.292 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.537 0.643 0 CA-C-O 122.208 0.837 . . . . 0.0 114.094 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.8 tt -61.42 -35.6 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.538 1.135 . . . . 0.0 113.53 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.87 -32.76 74.24 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.685 -0.634 . . . . 0.0 111.697 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -72.56 -50.11 27.8 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.306 -0.871 . . . . 0.0 111.969 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.74 -33.08 75.03 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.556 1.071 . . . . 0.0 112.85 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.1 t -61.85 -47.98 82.59 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.889 0.876 . . . . 0.0 111.912 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.0 79.37 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.236 -0.915 . . . . 0.0 112.358 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.18 -52.41 62.48 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.271 1.028 . . . . 0.0 111.44 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.84 -35.95 81.65 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.236 1.38 . . . . 0.0 111.989 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mtm105 -71.75 -37.59 70.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.82 0.848 . . . . 0.0 112.501 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -70.25 -28.79 65.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.847 0.859 . . . . 0.0 113.301 171.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.9 -30.29 71.28 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.951 1.251 . . . . 0.0 111.856 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.2 mtm -85.43 -1.81 57.44 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.968 1.307 . . . . 0.0 114.188 168.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.284 0 C-N-CA 124.842 1.21 . . . . 0.0 114.621 -177.344 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -79.67 -25.64 41.24 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -72.01 -45.03 62.44 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.464 -0.773 . . . . 0.0 111.228 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 tt -60.42 -40.38 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.736 0.814 . . . . 0.0 111.737 170.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -34.65 73.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.288 0.949 . . . . 0.0 112.201 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -82.51 -53.54 5.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.444 1.098 . . . . 0.0 112.562 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.57 -41.14 89.01 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.516 0.726 . . . . 0.0 112.368 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 tp -71.07 -33.81 70.59 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.701 -0.625 . . . . 0.0 111.973 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.82 87.59 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.703 0.801 . . . . 0.0 112.546 170.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -59.16 -45.5 90.83 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.298 1.839 . . . . 0.0 111.09 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -65.69 -45.29 83.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.312 1.045 . . . . 0.0 112.8 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.31 -39.42 86.94 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.427 1.091 . . . . 0.0 112.174 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.9 m -61.48 -38.02 85.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.578 -0.702 . . . . 0.0 112.187 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -66.25 -33.38 75.62 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.134 -0.979 . . . . 0.0 113.176 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.85 -47.39 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 118.642 0.655 . . . . 0.0 109.669 171.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -61.28 -40.58 94.64 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.6 0.76 . . . . 0.0 112.364 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -58.75 -50.9 72.23 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.331 0.969 . . . . 0.0 112.151 173.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.38 -47.73 82.87 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.828 0.851 . . . . 0.0 111.91 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -64.85 -40.5 95.26 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.436 0.694 . . . . 0.0 112.287 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.67 95.82 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.604 0.638 . . . . 0.0 112.443 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.73 90.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.333 0.653 . . . . 0.0 112.298 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 124.218 1.007 . . . . 0.0 111.071 178.872 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 CA--C 1.539 0.763 0 CA-C-O 122.53 0.971 . . . . 0.0 114.519 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 20.7 tt -56.23 -38.36 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.991 1.716 . . . . 0.0 114.327 -173.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -67.95 -28.92 67.88 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.458 -0.776 . . . . 0.0 112.534 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -78.95 -54.87 5.6 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.679 0.792 . . . . 0.0 111.387 175.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.9 pp -61.56 -32.93 73.03 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.845 -1.16 . . . . 0.0 112.955 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 31.5 t -68.61 -27.18 65.8 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.906 1.282 . . . . 0.0 113.128 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.15 -30.23 21.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.384 1.074 . . . . 0.0 113.194 169.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.27 -41.03 97.1 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.356 -0.84 . . . . 0.0 111.586 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -59.59 -39.4 84.03 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.535 1.061 . . . . 0.0 111.962 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -68.98 -40.22 78.94 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.807 1.243 . . . . 0.0 112.359 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.1 -31.82 72.55 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -70.78 -30.35 66.8 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 120.814 -1.179 . . . . 0.0 112.939 169.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 32.6 mtt . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 125.18 1.392 . . . . 0.0 113.261 169.916 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 71.4 m . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -40.5 80.39 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.206 1.002 . . . . 0.0 112.976 -172.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -67.97 -26.57 65.99 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -80.72 -42.77 21.35 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.64 -1.287 . . . . 0.0 112.243 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 11.0 tt -61.32 -38.89 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.168 0.894 . . . . 0.0 111.203 170.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.78 -51.18 71.08 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.967 0.803 . . . . 0.0 111.921 172.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -62.3 -48.28 80.59 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.722 0.692 . . . . 0.0 112.659 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.36 -44.54 97.0 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.966 0.803 . . . . 0.0 111.326 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.3 tp -72.79 -34.57 67.01 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.98 75.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.192 0.997 . . . . 0.0 113.394 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -63.76 -46.58 84.65 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.884 1.274 . . . . 0.0 111.75 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 70.1 m -65.51 -41.96 92.62 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.556 0.742 . . . . 0.0 112.863 172.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.14 -39.96 92.01 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.264 0.938 . . . . 0.0 112.321 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 85.4 m -61.18 -42.32 98.36 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.325 -0.859 . . . . 0.0 111.734 173.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -69.54 -32.95 72.07 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.1 -51.76 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.406 1.003 . . . . 0.0 109.915 168.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.06 -40.19 94.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.379 1.072 . . . . 0.0 112.573 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -58.82 -49.36 77.99 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.528 1.131 . . . . 0.0 111.836 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.23 -39.22 82.39 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -60.1 -45.4 93.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.363 0.665 . . . . 0.0 112.319 172.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.34 98.91 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.768 0.713 . . . . 0.0 112.29 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.35 87.9 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.454 0.701 . . . . 0.0 112.835 176.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -65.86 -42.32 90.58 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.641 0.777 . . . . 0.0 111.707 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? . . . . . 0 CA--C 1.538 0.496 0 O-C-N 120.844 -1.16 . . . . 0.0 112.395 176.858 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 CA--C 1.538 0.722 0 CA-C-O 122.065 0.777 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.6 tt -61.35 -28.55 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -63.34 -35.65 81.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.423 0.689 . . . . 0.0 112.182 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -74.2 -48.91 25.91 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.827 0.851 . . . . 0.0 112.037 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.27 -31.91 71.7 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.218 0.917 . . . . 0.0 112.349 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.9 t -62.35 -45.39 93.42 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.824 0.85 . . . . 0.0 112.088 167.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.33 -35.89 81.88 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.834 -1.166 . . . . 0.0 112.661 174.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.9 -46.18 79.27 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.241 -0.912 . . . . 0.0 112.096 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.1 -36.05 82.77 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.223 1.374 . . . . 0.0 112.183 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -65.75 -45.98 80.54 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.455 1.102 . . . . 0.0 111.641 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -68.69 -35.54 77.32 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.369 1.067 . . . . 0.0 113.398 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -66.24 -27.44 67.97 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.052 -1.03 . . . . 0.0 113.389 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.4 mtt -86.47 -5.41 59.16 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.698 1.199 . . . . 0.0 113.925 171.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.626 0 C-N-CA 124.943 1.259 . . . . 0.0 114.791 -179.879 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -74.64 -39.57 62.01 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.895 0.878 . . . . 0.0 112.191 170.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -64.66 -42.2 95.57 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.424 0.69 . . . . 0.0 111.686 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.16 -42.7 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.353 0.661 . . . . 0.0 112.364 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -62.33 -43.38 98.96 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.248 0.931 . . . . 0.0 111.599 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.28 -52.09 66.18 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.358 0.663 . . . . 0.0 112.203 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.29 -41.68 98.71 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.435 0.694 . . . . 0.0 112.433 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.7 tp -77.31 -34.33 55.41 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.656 -0.652 . . . . 0.0 112.39 -174.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.44 77.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.899 0.88 . . . . 0.0 112.65 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -56.49 -46.36 80.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.999 1.72 . . . . 0.0 110.904 174.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -64.42 -46.62 82.41 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 173.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.65 -40.71 95.88 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.914 0.886 . . . . 0.0 112.672 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.3 m -61.46 -38.35 86.92 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.263 -0.898 . . . . 0.0 111.849 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.06 -32.71 74.08 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.161 -0.962 . . . . 0.0 113.297 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.26 -47.98 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.356 0.662 . . . . 0.0 109.971 172.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.29 -39.09 93.22 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.644 1.178 . . . . 0.0 112.802 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -58.85 -47.56 84.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.216 1.006 . . . . 0.0 111.862 172.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.11 -46.85 82.36 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.333 0.653 . . . . 0.0 111.624 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.15 -40.75 97.03 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.694 0.798 . . . . 0.0 112.72 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.82 88.74 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.556 0.616 . . . . 0.0 112.019 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.57 -47.6 75.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.659 0.784 . . . . 0.0 112.183 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 125.348 1.459 . . . . 0.0 111.559 178.597 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo . . . . . 0 CA--C 1.535 0.556 0 CA-C-O 121.712 0.63 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.8 tt -58.63 -29.52 39.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -63.77 -36.37 83.66 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.425 0.69 . . . . 0.0 112.515 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -72.95 -49.92 26.49 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.302 0.641 . . . . 0.0 111.815 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.31 -32.17 73.42 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.223 0.92 . . . . 0.0 112.384 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 17.7 t -61.0 -47.98 83.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.196 0.998 . . . . 0.0 112.371 168.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.2 -33.97 77.26 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.134 -0.979 . . . . 0.0 112.365 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.17 -52.9 52.18 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.29 1.036 . . . . 0.0 111.828 174.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.68 -33.57 76.26 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.618 1.554 . . . . 0.0 112.62 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 47.1 mtm105 -68.74 -43.38 75.99 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.075 0.852 . . . . 0.0 112.897 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.39 -26.68 60.25 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.733 1.151 . . . . 0.0 112.825 176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -67.64 -37.46 82.48 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.052 -1.03 . . . . 0.0 112.519 169.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 73.3 mtm . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 169.549 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -36.13 73.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.824 1.25 . . . . 0.0 112.681 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -64.16 -29.48 70.59 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.179 -0.95 . . . . 0.0 112.909 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -75.08 -43.84 50.83 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.96 0.904 . . . . 0.0 111.473 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 12.7 tt -66.92 -38.84 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.101 0.96 . . . . 0.0 112.088 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -56.24 -42.97 78.2 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.122 0.874 . . . . 0.0 111.473 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.73 -56.07 15.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.731 0.812 . . . . 0.0 111.893 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.46 -44.53 96.18 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.474 -0.766 . . . . 0.0 112.479 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.48 -36.53 71.18 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.208 0.603 . . . . 0.0 112.479 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.22 85.89 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -61.15 -50.76 71.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.496 0.718 . . . . 0.0 112.111 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 10.3 t -60.5 -40.2 90.48 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.22 -43.11 99.58 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.43 1.092 . . . . 0.0 112.512 172.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.1 m -61.35 -35.89 78.69 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.928 -1.107 . . . . 0.0 112.156 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -68.49 -32.88 73.16 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.448 -0.782 . . . . 0.0 112.764 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.3 -51.55 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 119.498 1.045 . . . . 0.0 109.84 170.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.36 -41.98 81.18 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.946 0.898 . . . . 0.0 111.822 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -63.16 -48.39 78.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.66 1.184 . . . . 0.0 112.192 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.15 -36.32 74.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -62.12 -43.15 99.46 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.751 0.705 . . . . 0.0 111.195 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.22 98.21 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.366 0.666 . . . . 0.0 112.585 174.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.85 96.9 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.524 0.73 . . . . 0.0 112.688 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -63.08 -43.26 99.03 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.41 1.084 . . . . 0.0 111.246 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 N--CA 1.473 0.685 0 C-N-CA 123.859 0.864 . . . . 0.0 113.17 175.542 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 CA--C 1.538 0.702 0 N-CA-C 113.818 0.661 . . . . 0.0 113.818 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.5 tt -59.44 -35.96 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -66.16 -27.69 68.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.797 0.839 . . . . 0.0 112.798 175.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.5 -52.73 6.93 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.437 0.695 . . . . 0.0 112.014 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.13 -33.87 76.4 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.306 1.412 . . . . 0.0 113.234 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -68.49 -27.41 66.12 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.913 1.285 . . . . 0.0 113.417 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.89 -36.94 23.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.308 1.043 . . . . 0.0 112.168 170.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.63 -40.85 97.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.302 1.041 . . . . 0.0 112.157 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.32 -34.11 77.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.034 1.288 . . . . 0.0 112.649 176.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -70.08 -41.0 74.68 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.046 0.939 . . . . 0.0 111.543 172.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.15 -35.12 79.74 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.094 1.358 . . . . 0.0 112.744 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.43 -27.11 65.91 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.191 -0.943 . . . . 0.0 113.095 171.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.1 mtt -80.55 -6.88 58.89 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.882 1.273 . . . . 0.0 113.125 168.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.414 0 C-N-CA 125.744 1.64 . . . . 0.0 115.656 -179.673 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -72.35 -27.14 62.22 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 173.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -79.26 -49.31 12.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.853 0.861 . . . . 0.0 111.588 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.2 tt -61.1 -38.13 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.028 0.931 . . . . 0.0 112.412 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.97 -43.59 94.98 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.188 0.904 . . . . 0.0 111.853 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -70.97 -45.71 63.61 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.732 -0.605 . . . . 0.0 112.117 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.41 -43.06 82.17 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.078 1.351 . . . . 0.0 113.101 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.45 -35.8 68.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.731 0.812 . . . . 0.0 111.879 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.92 83.34 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 172.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -59.97 -47.5 85.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.19 0.996 . . . . 0.0 111.709 171.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 t -60.46 -42.95 97.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.519 0.728 . . . . 0.0 111.958 175.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.7 -42.13 99.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.402 1.081 . . . . 0.0 113.012 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.9 m -61.79 -39.28 91.14 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.058 -1.026 . . . . 0.0 112.552 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -65.23 -30.18 71.04 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.964 -1.085 . . . . 0.0 113.043 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.01 -48.79 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.247 -0.908 . . . . 0.0 110.133 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -64.05 -37.09 86.18 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.408 1.083 . . . . 0.0 112.382 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -61.32 -43.39 98.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.387 1.075 . . . . 0.0 112.424 174.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.71 -45.91 77.24 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.959 0.504 . . . . 0.0 111.703 175.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.98 -36.41 83.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.524 0.73 . . . . 0.0 112.954 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.44 94.17 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.108 0.867 . . . . 0.0 112.04 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.31 84.81 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.604 0.762 . . . . 0.0 112.889 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 124.441 1.097 . . . . 0.0 111.262 177.438 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo . . . . . 0 CA--C 1.539 0.741 0 N-CA-C 113.956 0.714 . . . . 0.0 113.956 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 14.7 tt -64.68 -29.45 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -169.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -67.11 -31.79 72.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.574 0.75 . . . . 0.0 112.085 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -74.33 -49.25 23.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.059 0.944 . . . . 0.0 111.752 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.54 -32.5 73.32 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.498 -0.751 . . . . 0.0 112.731 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 28.2 t -63.53 -45.66 89.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.279 0.632 . . . . 0.0 111.976 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.82 77.31 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.319 -1.488 . . . . 0.0 112.848 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.7 mp -63.73 -48.21 77.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.635 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.98 -34.57 78.04 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.261 1.391 . . . . 0.0 112.526 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -61.71 -50.67 71.49 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.608 0.763 . . . . 0.0 111.34 171.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -66.7 -33.7 76.21 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -62.14 -33.29 74.2 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.238 0.926 . . . . 0.0 112.593 172.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 23.6 mtt . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 125.018 1.327 . . . . 0.0 113.439 175.33 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -33.92 68.92 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -172.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.57 -27.74 64.36 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.269 -0.894 . . . . 0.0 113.208 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -72.54 -48.35 40.97 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.088 -1.007 . . . . 0.0 110.86 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.2 tt -65.48 -40.61 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.06 0.944 . . . . 0.0 111.856 176.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -58.71 -50.14 74.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.797 1.18 . . . . 0.0 111.648 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.67 -50.64 70.39 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.803 0.728 . . . . 0.0 112.078 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.58 -43.87 92.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.048 0.84 . . . . 0.0 112.432 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.3 tp -75.95 -30.99 58.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.397 0.679 . . . . 0.0 112.205 -175.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.53 -42.04 75.18 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.458 -0.776 . . . . 0.0 112.21 170.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.86 -46.54 88.99 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.697 1.599 . . . . 0.0 112.049 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 53.6 p -68.2 -39.45 82.46 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.058 0.943 . . . . 0.0 112.999 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.45 -39.78 94.49 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.008 0.822 . . . . 0.0 112.13 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 85.5 m -63.72 -38.22 90.29 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.376 -0.827 . . . . 0.0 111.41 175.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -66.77 -33.8 76.43 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.179 -0.951 . . . . 0.0 113.267 175.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.41 -52.49 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 119.691 1.132 . . . . 0.0 110.009 168.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -58.33 -42.42 86.74 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.744 0.817 . . . . 0.0 111.903 -178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -61.15 -46.48 90.38 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.792 0.837 . . . . 0.0 112.771 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.09 -38.39 72.4 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -62.77 -43.15 99.56 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.294 0.638 . . . . 0.0 111.494 173.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.2 94.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.788 0.835 . . . . 0.0 113.088 174.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.8 -42.88 90.13 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.848 0.859 . . . . 0.0 112.607 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -63.36 -40.3 96.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.984 0.914 . . . . 0.0 111.447 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 N--CA 1.476 0.873 0 O-C-N 121.069 -1.019 . . . . 0.0 112.991 173.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 CA--C 1.538 0.717 0 CA-C-O 121.956 0.732 . . . . 0.0 113.104 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.11 -28.59 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -172.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -62.12 -35.07 77.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.487 0.715 . . . . 0.0 112.174 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -77.57 -50.62 12.18 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.704 0.802 . . . . 0.0 112.207 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.41 -32.57 74.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.472 1.033 . . . . 0.0 112.526 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.3 m -70.86 -33.84 71.04 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.041 0.536 . . . . 0.0 112.181 173.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.72 -35.5 72.75 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.167 -0.958 . . . . 0.0 112.865 170.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.44 -50.36 71.8 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.212 0.914 . . . . 0.0 111.527 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.28 -35.98 82.59 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.784 1.174 . . . . 0.0 112.71 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -67.56 -41.19 84.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.985 0.914 . . . . 0.0 112.244 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -70.64 -35.41 72.89 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.893 0.877 . . . . 0.0 112.898 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.94 -31.77 72.88 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.879 -1.138 . . . . 0.0 112.891 173.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.3 mtt -80.17 -7.38 58.92 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.397 1.079 . . . . 0.0 113.817 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.597 0 C-N-CA 124.686 1.136 . . . . 0.0 114.735 177.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -68.16 -33.67 74.89 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.346 -0.846 . . . . 0.0 112.95 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -67.33 -47.83 69.32 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.577 -0.702 . . . . 0.0 111.786 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 tt -67.2 -39.23 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.457 0.703 . . . . 0.0 112.409 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.29 -48.37 80.69 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.109 0.868 . . . . 0.0 111.765 174.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.59 -50.65 68.58 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.313 0.506 . . . . 0.0 112.245 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.9 -46.6 89.98 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.752 0.706 . . . . 0.0 112.426 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.2 tp -74.84 -35.04 62.4 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.892 -0.505 . . . . 0.0 112.254 -173.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.58 85.19 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.465 -0.772 . . . . 0.0 112.765 170.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.51 -45.49 92.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.108 1.363 . . . . 0.0 111.631 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -60.16 -45.46 92.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.537 0.735 . . . . 0.0 112.521 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.05 -44.25 97.09 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.062 0.945 . . . . 0.0 112.7 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.1 m -60.22 -36.71 78.3 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.05 -1.032 . . . . 0.0 112.353 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -67.22 -32.91 74.27 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.262 -0.899 . . . . 0.0 112.778 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.51 -50.68 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 119.111 0.869 . . . . 0.0 110.069 172.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.23 -38.41 90.96 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.358 1.063 . . . . 0.0 112.21 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -59.68 -47.07 87.1 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.249 1.02 . . . . 0.0 111.939 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.46 -45.34 84.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.373 0.669 . . . . 0.0 112.142 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.02 -40.18 94.48 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.913 0.778 . . . . 0.0 112.886 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.41 -45.96 92.15 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.314 0.646 . . . . 0.0 111.805 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.53 81.44 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.342 0.657 . . . . 0.0 112.476 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 CA--C 1.54 0.572 0 C-N-CA 124.859 1.264 . . . . 0.0 111.891 179.16 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo . . . . . 0 CA--C 1.537 0.641 0 CA-C-O 121.42 0.508 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 9.6 tt -62.35 -27.71 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -64.6 -27.95 69.29 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.267 -0.896 . . . . 0.0 113.386 174.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.17 -51.26 12.5 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.35 0.977 . . . . 0.0 111.972 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.47 -31.33 72.49 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.114 -0.991 . . . . 0.0 112.192 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 49.1 m -70.48 -41.4 72.77 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.383 0.673 . . . . 0.0 112.331 171.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.98 74.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.977 -1.077 . . . . 0.0 112.322 174.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.89 -49.99 66.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.356 1.062 . . . . 0.0 111.961 173.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.7 -34.84 77.68 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.115 1.325 . . . . 0.0 112.762 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -63.9 -46.56 84.29 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 118.558 -0.734 . . . . 0.0 112.48 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.05 -26.12 61.18 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.019 0.827 . . . . 0.0 113.101 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.4 -28.36 69.73 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.285 -0.884 . . . . 0.0 113.256 168.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 74.1 mtm . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 125.552 1.541 . . . . 0.0 114.255 179.048 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.474 0.773 0 CA-C-O 120.396 0.141 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -36.64 72.27 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.333 1.053 . . . . 0.0 112.881 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -22.8 63.16 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 175.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.87 -49.25 18.46 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.359 0.982 . . . . 0.0 110.379 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.7 tt -67.11 -40.78 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.639 1.175 . . . . 0.0 112.003 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.62 -36.44 78.63 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.235 0.925 . . . . 0.0 111.989 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -73.06 -58.28 3.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.007 0.821 . . . . 0.0 112.361 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.06 -43.58 98.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.689 0.796 . . . . 0.0 113.13 -173.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 21.0 tp -75.26 -23.74 57.52 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.896 0.879 . . . . 0.0 112.921 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -81.19 -37.13 29.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.922 0.889 . . . . 0.0 113.315 168.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -59.69 -51.85 68.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.071 1.349 . . . . 0.0 111.147 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 44.5 p -62.51 -39.36 93.26 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.147 0.979 . . . . 0.0 112.714 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.32 -39.69 91.45 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.034 -1.041 . . . . 0.0 112.331 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 97.0 m -60.93 -35.74 77.5 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.005 -1.059 . . . . 0.0 112.016 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.44 -31.84 67.67 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.993 -1.067 . . . . 0.0 113.143 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 78.9 mt -58.82 -52.89 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.657 1.117 . . . . 0.0 109.451 169.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -57.59 -42.58 83.47 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.196 0.999 . . . . 0.0 112.48 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -60.05 -48.88 79.89 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.103 0.961 . . . . 0.0 112.486 177.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.42 -35.35 60.99 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -60.97 -43.92 98.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.365 0.529 . . . . 0.0 111.551 171.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.82 98.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.412 0.685 . . . . 0.0 112.499 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.61 94.14 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.611 0.764 . . . . 0.0 112.904 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -66.08 -41.5 90.62 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.806 0.842 . . . . 0.0 111.181 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 . . . . . 0 CA--C 1.549 0.912 0 O-C-N 120.664 -1.273 . . . . 0.0 113.009 176.123 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo . . . . . 0 CA--C 1.534 0.503 0 CA-C-O 121.925 0.719 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 tt -53.41 -35.92 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.967 1.307 . . . . 0.0 113.822 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -65.46 -32.73 74.5 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.46 0.704 . . . . 0.0 112.297 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.61 -47.2 33.64 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.243 -0.911 . . . . 0.0 112.072 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.56 -31.03 70.82 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.62 1.1 . . . . 0.0 112.216 175.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.5 t -65.8 -46.86 77.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.399 0.68 . . . . 0.0 111.653 169.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.58 75.46 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.422 -1.424 . . . . 0.0 112.412 174.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.88 -52.38 56.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.201 1.0 . . . . 0.0 112.649 174.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.9 -32.16 73.51 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.526 1.512 . . . . 0.0 112.826 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -63.83 -48.1 78.15 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.071 0.948 . . . . 0.0 110.762 171.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.95 -37.51 85.02 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.659 1.184 . . . . 0.0 112.832 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -64.46 -30.96 71.99 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.362 -0.837 . . . . 0.0 112.71 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.1 mtm -87.26 4.15 43.82 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.302 1.441 . . . . 0.0 114.065 171.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.576 0 C-N-CA 125.113 1.339 . . . . 0.0 115.524 179.704 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.2 mmt . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -71.39 -30.79 66.53 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 175.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -71.41 -45.46 62.66 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.044 0.938 . . . . 0.0 110.555 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.4 tt -69.45 -41.35 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.44 0.696 . . . . 0.0 111.736 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -58.83 -41.72 87.53 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.421 1.01 . . . . 0.0 112.267 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -71.21 -51.7 23.25 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.755 0.707 . . . . 0.0 111.768 176.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.46 -39.83 85.35 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.531 -0.731 . . . . 0.0 112.452 -172.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.6 tp -74.33 -27.07 60.52 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.503 1.121 . . . . 0.0 112.768 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.79 -31.99 63.54 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.314 -0.866 . . . . 0.0 112.16 168.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -64.13 -47.19 80.91 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.03 -1.044 . . . . 0.0 112.666 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.3 p -64.15 -39.84 94.89 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.415 0.686 . . . . 0.0 112.467 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.21 -44.88 92.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.438 1.017 . . . . 0.0 111.655 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.8 m -62.54 -32.26 73.18 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.264 -0.897 . . . . 0.0 112.052 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -67.78 -33.57 75.09 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.622 -1.299 . . . . 0.0 113.353 173.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.85 -46.66 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-N 119.023 0.829 . . . . 0.0 110.022 171.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -58.0 -46.19 85.62 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.332 1.053 . . . . 0.0 111.341 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -61.79 -42.84 99.51 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.578 1.151 . . . . 0.0 112.966 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.82 -48.73 80.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.578 0.751 . . . . 0.0 111.816 176.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.81 -35.51 77.08 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.76 0.824 . . . . 0.0 111.99 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.37 88.59 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.385 0.674 . . . . 0.0 112.424 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.0 96.62 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.47 -0.769 . . . . 0.0 112.704 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 CA--C 1.544 0.746 0 C-N-CA 124.185 0.994 . . . . 0.0 111.275 175.482 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 CA--C 1.535 0.525 0 CA-C-O 122.082 0.784 . . . . 0.0 113.122 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.2 tt -61.15 -30.05 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.354 1.062 . . . . 0.0 113.838 -173.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -68.72 -29.55 67.99 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.518 -0.739 . . . . 0.0 112.821 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -78.49 -45.1 22.84 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.798 0.839 . . . . 0.0 112.497 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.94 -32.83 74.35 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.469 1.031 . . . . 0.0 111.718 173.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.7 t -62.8 -46.7 86.77 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.642 0.777 . . . . 0.0 111.805 168.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -34.93 75.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.848 -1.158 . . . . 0.0 112.889 175.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.3 mp -67.2 -49.89 62.92 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.894 0.878 . . . . 0.0 112.472 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.7 -35.07 79.7 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.357 1.435 . . . . 0.0 112.412 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -62.62 -43.91 97.62 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.218 1.007 . . . . 0.0 112.107 172.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.54 -38.41 89.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.025 1.33 . . . . 0.0 112.515 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -62.54 -37.08 84.7 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.961 -1.087 . . . . 0.0 113.291 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 71.8 mtm . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 173.717 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 6.4 tpt -66.3 -22.08 66.28 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -168.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -79.0 -37.19 39.87 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.043 -1.036 . . . . 0.0 112.777 170.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.29 -38.62 78.4 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.342 -0.849 . . . . 0.0 112.166 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.0 tt -61.1 -43.33 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.139 0.576 . . . . 0.0 111.522 171.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -64.7 -41.22 96.17 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.527 0.603 . . . . 0.0 111.754 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.97 -53.99 50.48 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.932 0.893 . . . . 0.0 112.445 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.63 -42.61 99.14 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.658 0.783 . . . . 0.0 111.724 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.3 tp -76.31 -27.6 56.62 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.847 0.859 . . . . 0.0 112.815 -176.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.3 68.97 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.142 0.977 . . . . 0.0 112.359 169.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.04 -49.45 74.55 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.269 0.627 . . . . 0.0 112.125 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 65.2 p -62.12 -37.82 86.57 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.92 -42.39 99.04 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.032 -1.043 . . . . 0.0 112.498 171.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.2 m -62.06 -38.08 87.4 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 121.186 -0.946 . . . . 0.0 112.074 176.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -66.92 -33.93 76.68 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.364 -0.835 . . . . 0.0 113.115 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.01 -51.27 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.269 -0.895 . . . . 0.0 110.09 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.84 -39.46 89.18 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.207 1.003 . . . . 0.0 111.961 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -58.62 -48.68 80.17 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.486 1.114 . . . . 0.0 111.737 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.77 -34.44 66.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.626 0.77 . . . . 0.0 112.59 -178.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -61.17 -43.83 98.26 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.286 0.948 . . . . 0.0 112.239 169.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.28 97.25 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.145 0.43 . . . . 0.0 112.121 176.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.98 90.82 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -62.3 -46.02 90.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.963 1.305 . . . . 0.0 111.387 177.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 . . . . . 0 CA--C 1.545 0.751 0 O-C-N 121.634 -0.666 . . . . 0.0 111.931 175.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 CA--C 1.543 0.957 0 N-CA-C 114.437 0.899 . . . . 0.0 114.437 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.79 -36.76 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -170.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -65.99 -25.35 67.05 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -82.17 -55.28 4.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.579 0.752 . . . . 0.0 111.326 173.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.18 -34.94 75.87 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.135 -0.978 . . . . 0.0 113.132 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.4 t -66.19 -34.76 78.76 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.793 0.837 . . . . 0.0 112.793 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.43 -40.13 44.48 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.12 -0.987 . . . . 0.0 111.492 172.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.51 -41.15 98.52 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.998 0.919 . . . . 0.0 112.721 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.74 -36.18 83.02 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.28 1.4 . . . . 0.0 112.098 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -71.47 -38.57 71.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.628 0.771 . . . . 0.0 111.905 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.35 -36.99 85.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.058 1.343 . . . . 0.0 112.723 173.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.84 -33.62 74.5 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.034 0.934 . . . . 0.0 112.529 171.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.1 mtm -82.89 -3.05 56.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.145 1.378 . . . . 0.0 114.645 171.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.397 0 O-C-N 121.031 -1.043 . . . . 0.0 113.699 -175.752 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.07 -26.95 65.2 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.988 0.915 . . . . 0.0 112.771 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -78.99 -43.5 24.25 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.213 -0.93 . . . . 0.0 111.581 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.91 -38.21 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.665 172.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.74 -31.83 66.85 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.927 1.239 . . . . 0.0 112.721 173.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.6 -60.07 2.52 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.173 0.989 . . . . 0.0 111.944 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -61.44 -42.93 99.52 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.0 0.92 . . . . 0.0 112.999 -173.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.75 -35.97 70.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.36 0.664 . . . . 0.0 112.276 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.16 -37.88 72.21 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.686 0.794 . . . . 0.0 112.319 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -62.03 -44.01 97.61 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.525 1.13 . . . . 0.0 111.43 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -63.25 -42.6 99.2 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.698 0.799 . . . . 0.0 111.943 174.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.85 -36.26 80.69 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.304 1.042 . . . . 0.0 112.525 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -60.2 -36.19 77.11 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.148 -0.97 . . . . 0.0 112.177 175.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -70.38 -36.95 74.44 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.246 -0.908 . . . . 0.0 112.15 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.6 -49.94 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 110.976 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -58.37 -43.54 88.48 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.923 0.889 . . . . 0.0 113.185 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -65.31 -43.39 91.18 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.115 0.566 . . . . 0.0 112.358 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.88 -38.9 79.97 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.565 0.746 . . . . 0.0 112.481 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -61.26 -46.05 91.96 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.272 0.629 . . . . 0.0 111.536 171.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.64 91.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.144 0.578 . . . . 0.0 112.448 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.84 92.37 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.109 -0.995 . . . . 0.0 112.726 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 124.135 0.974 . . . . 0.0 111.119 176.887 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo . . . . . 0 CA--C 1.535 0.574 0 CA-C-O 121.799 0.666 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.1 -25.57 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -175.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -61.29 -37.24 82.5 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.736 0.814 . . . . 0.0 112.546 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -75.02 -48.16 25.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.709 0.804 . . . . 0.0 112.169 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.25 -32.63 73.79 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 119.209 0.913 . . . . 0.0 112.442 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 18.5 t -62.2 -49.39 75.97 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.72 0.808 . . . . 0.0 111.58 167.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -33.13 72.5 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.706 -1.246 . . . . 0.0 112.577 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.35 -51.02 61.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.68 1.192 . . . . 0.0 112.094 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.96 -35.33 80.29 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.237 1.381 . . . . 0.0 112.107 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -65.17 -47.26 77.62 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.04 0.936 . . . . 0.0 112.594 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -72.68 -27.09 61.88 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.393 0.997 . . . . 0.0 113.637 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -66.51 -35.62 80.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.6 1.091 . . . . 0.0 112.479 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.7 mtt . . . . . 0 N--CA 1.476 0.866 0 C-N-CA 124.157 0.983 . . . . 0.0 113.241 170.033 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -33.25 64.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.437 1.095 . . . . 0.0 113.455 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -74.21 -27.47 60.8 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.062 -1.024 . . . . 0.0 113.019 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -71.74 -42.52 67.17 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 120.125 1.329 . . . . 0.0 111.488 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 9.4 tt -65.27 -38.96 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.615 0.766 . . . . 0.0 111.154 171.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -59.63 -46.75 88.07 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.403 1.001 . . . . 0.0 111.467 173.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -64.4 -48.16 76.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.988 0.915 . . . . 0.0 112.165 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.25 -48.28 78.89 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.64 -0.662 . . . . 0.0 111.419 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.1 tp -77.26 -23.85 51.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.547 0.739 . . . . 0.0 112.661 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.72 85.44 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.014 -1.054 . . . . 0.0 112.217 167.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.85 -46.2 90.5 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.946 1.298 . . . . 0.0 111.532 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 90.3 p -66.08 -42.56 89.19 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.94 -41.76 98.32 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.292 -0.88 . . . . 0.0 112.342 176.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 96.7 m -62.18 -39.59 93.21 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.373 -0.83 . . . . 0.0 111.786 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -68.09 -34.77 77.02 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.92 -52.16 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 118.825 0.738 . . . . 0.0 109.899 171.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -66.32 -36.09 82.05 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.34 1.056 . . . . 0.0 112.775 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -62.05 -46.8 87.54 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.413 1.085 . . . . 0.0 112.288 174.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.58 -40.85 84.83 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.464 0.705 . . . . 0.0 112.075 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.1 -40.89 95.18 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.598 0.635 . . . . 0.0 112.636 175.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.31 97.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.507 0.723 . . . . 0.0 112.338 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.96 97.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.363 0.665 . . . . 0.0 112.718 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -64.48 -43.75 93.18 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.188 0.995 . . . . 0.0 111.48 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 . . . . . 0 CA--C 1.543 0.689 0 O-C-N 120.872 -1.143 . . . . 0.0 113.044 175.353 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo . . . . . 0 CA--C 1.533 0.443 0 CA-C-O 122.313 0.88 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 tt -58.99 -31.33 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.629 1.172 . . . . 0.0 113.654 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.08 -34.45 77.61 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.24 -0.912 . . . . 0.0 112.631 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -74.35 -50.09 20.14 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.828 0.851 . . . . 0.0 112.208 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.92 -30.01 70.53 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.665 1.12 . . . . 0.0 112.166 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -67.99 -33.16 74.1 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.169 0.987 . . . . 0.0 113.193 170.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.67 -34.54 62.72 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 119.985 -1.697 . . . . 0.0 112.558 171.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.55 -42.39 98.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.904 0.882 . . . . 0.0 112.218 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.92 -39.51 90.59 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.493 1.042 . . . . 0.0 112.537 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -66.66 -42.08 87.16 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.593 0.633 . . . . 0.0 111.104 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -66.05 -36.13 82.39 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -66.03 -33.13 75.11 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.48 1.036 . . . . 0.0 113.214 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.4 mtt -76.85 -10.65 59.52 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.538 1.135 . . . . 0.0 113.665 172.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.415 0 C-N-CA 124.819 1.199 . . . . 0.0 113.87 -173.593 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 50.6 tpp . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -67.78 -27.37 66.7 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.575 -1.328 . . . . 0.0 113.46 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -68.42 -44.69 74.44 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.784 0.834 . . . . 0.0 110.84 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.1 tt -73.41 -37.99 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.018 0.927 . . . . 0.0 111.698 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -55.74 -48.16 75.71 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.339 0.972 . . . . 0.0 111.319 170.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.35 -46.91 78.3 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.683 0.793 . . . . 0.0 113.089 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.1 mt -62.05 -50.46 71.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.203 0.911 . . . . 0.0 112.278 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 tp -76.03 -32.78 59.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.339 0.655 . . . . 0.0 112.629 -169.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.84 -30.69 68.24 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -66.21 -43.09 87.71 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.575 1.15 . . . . 0.0 111.828 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.3 m -63.64 -41.68 98.21 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.84 -41.2 95.33 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.929 0.891 . . . . 0.0 112.081 175.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.6 m -61.32 -42.3 98.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.445 0.698 . . . . 0.0 111.672 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -67.23 -33.3 75.07 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.395 -0.815 . . . . 0.0 113.194 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.32 -47.69 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 121.411 -0.806 . . . . 0.0 110.101 171.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -64.81 -36.16 83.42 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.376 1.071 . . . . 0.0 112.858 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.1 mtp-105 -62.18 -41.26 98.16 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.652 0.781 . . . . 0.0 112.382 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.79 -48.7 70.91 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.263 1.025 . . . . 0.0 111.169 174.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -65.44 -33.27 75.55 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.54 89.41 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.998 0.817 . . . . 0.0 112.6 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.43 -43.99 65.7 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.731 0.812 . . . . 0.0 112.485 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 124.21 1.004 . . . . 0.0 111.796 -179.491 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 CA--C 1.534 0.516 0 CA-C-O 121.471 0.53 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 tt -61.91 -26.93 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -170.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -62.41 -26.4 68.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.661 0.785 . . . . 0.0 112.977 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -80.0 -55.74 4.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.631 0.773 . . . . 0.0 111.188 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.34 -34.62 78.76 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.263 0.938 . . . . 0.0 112.731 -176.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.4 t -67.28 -34.64 77.84 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.668 1.187 . . . . 0.0 113.315 173.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.95 -38.59 66.71 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.546 -0.721 . . . . 0.0 111.943 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.59 -45.22 91.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.098 0.959 . . . . 0.0 112.488 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.37 -34.91 79.02 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.216 1.371 . . . . 0.0 112.539 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -66.52 -44.89 81.26 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.145 0.578 . . . . 0.0 111.629 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.18 -39.62 90.84 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.836 1.254 . . . . 0.0 112.689 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -63.94 -38.12 89.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.909 0.884 . . . . 0.0 112.58 173.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 CA--C 1.55 0.943 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 171.281 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.7 mmt -58.42 -31.03 67.34 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.69 -28.24 65.68 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.13 -0.981 . . . . 0.0 113.198 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -73.17 -49.14 29.82 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.024 -1.047 . . . . 0.0 111.492 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.9 tt -63.59 -41.94 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.029 0.932 . . . . 0.0 112.318 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -61.72 -44.87 96.08 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.74 0.7 . . . . 0.0 111.736 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -65.9 -48.87 70.01 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.567 0.621 . . . . 0.0 112.669 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.42 -46.26 90.85 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.44 -0.788 . . . . 0.0 112.202 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.4 tp -69.88 -36.72 75.69 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.668 0.787 . . . . 0.0 112.323 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.02 81.95 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.196 0.814 . . . . 0.0 113.196 173.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -65.37 -44.62 87.03 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.515 1.052 . . . . 0.0 112.108 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 8.7 t -61.54 -40.01 93.14 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.991 -0.443 . . . . 0.0 111.966 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.03 -42.05 99.67 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.142 0.977 . . . . 0.0 112.758 171.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 65.4 m -61.29 -38.32 86.34 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 120.844 -1.16 . . . . 0.0 111.966 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -65.52 -32.53 74.18 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.209 -0.932 . . . . 0.0 113.045 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.76 -51.0 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.516 1.053 . . . . 0.0 109.953 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -59.13 -42.24 90.18 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.138 0.975 . . . . 0.0 111.889 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -64.5 -43.09 95.22 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.884 1.274 . . . . 0.0 112.866 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.81 -37.88 79.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.112 0.869 . . . . 0.0 112.618 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -59.32 -46.21 89.2 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.911 0.778 . . . . 0.0 111.41 172.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.57 -43.62 98.36 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.986 0.914 . . . . 0.0 112.583 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.42 92.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.502 0.721 . . . . 0.0 112.39 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -66.51 -40.84 89.41 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.531 0.732 . . . . 0.0 112.019 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 . . . . . 0 CA--C 1.541 0.632 0 O-C-N 120.558 -1.339 . . . . 0.0 112.485 176.136 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 0 CA--C 1.539 0.727 0 CA-C-O 121.647 0.603 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.98 -34.0 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -173.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -70.0 -24.95 63.39 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.085 -1.009 . . . . 0.0 112.685 176.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -73.37 -51.05 18.77 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.52 -0.737 . . . . 0.0 111.375 175.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.8 -33.12 75.23 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 120.74 -1.225 . . . . 0.0 112.784 176.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -69.11 -30.2 68.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 173.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.05 60.88 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.33 -0.857 . . . . 0.0 111.524 168.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.15 -42.88 95.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.802 0.841 . . . . 0.0 112.653 -177.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.09 -38.52 91.37 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.581 1.082 . . . . 0.0 112.702 176.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -68.8 -39.98 79.82 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.485 -0.759 . . . . 0.0 112.839 174.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -61.75 -39.88 93.16 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.471 1.108 . . . . 0.0 112.038 174.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -68.48 -37.27 79.97 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 174.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.3 mtt -64.47 -23.74 67.38 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.199 1.0 . . . . 0.0 113.547 173.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.494 0 C-N-CA 125.319 1.438 . . . . 0.0 114.312 -171.751 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -67.34 -30.51 70.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.107 0.963 . . . . 0.0 113.168 177.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.16 -43.38 67.64 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.99 0.814 . . . . 0.0 111.013 177.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tt -75.32 -37.95 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 123.547 0.739 . . . . 0.0 111.783 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.65 -36.69 74.52 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.7 1.136 . . . . 0.0 112.1 173.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -70.01 -58.07 4.26 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.864 0.757 . . . . 0.0 112.566 174.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.66 -42.96 98.02 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.425 -0.797 . . . . 0.0 112.942 -174.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 tp -76.63 -23.67 53.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.897 0.879 . . . . 0.0 112.585 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.53 -37.82 50.1 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.243 -0.911 . . . . 0.0 112.783 165.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -65.27 -44.86 86.71 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.269 -0.894 . . . . 0.0 112.082 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.2 p -62.77 -38.63 91.33 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 172.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.82 -40.91 98.86 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.769 -1.207 . . . . 0.0 111.933 170.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.5 m -61.59 -37.09 82.59 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.2 1.0 . . . . 0.0 111.605 176.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.23 -33.6 75.69 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.271 -0.893 . . . . 0.0 113.106 174.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.92 -47.53 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 121.289 -0.882 . . . . 0.0 110.268 171.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -55.55 -47.73 75.89 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.311 1.044 . . . . 0.0 111.814 174.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -55.36 -49.68 71.65 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.122 1.769 . . . . 0.0 111.732 178.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.98 -36.37 62.02 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -62.43 -41.31 98.62 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.248 0.931 . . . . 0.0 111.55 172.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.38 95.06 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.559 0.744 . . . . 0.0 112.49 173.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.33 96.16 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.706 0.802 . . . . 0.0 112.637 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 124.386 1.075 . . . . 0.0 111.295 177.009 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 CA--C 1.532 0.392 0 CA-C-O 122.062 0.776 . . . . 0.0 113.769 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.21 -31.01 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 124.371 1.068 . . . . 0.0 113.478 -174.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -67.56 -34.26 76.7 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.586 0.754 . . . . 0.0 112.523 175.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -72.6 -48.4 40.07 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.34 -0.85 . . . . 0.0 111.629 -177.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.8 -32.54 73.18 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.942 -1.098 . . . . 0.0 112.667 175.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 32.4 t -62.57 -48.26 80.23 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.847 0.859 . . . . 0.0 111.178 170.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.19 88.66 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.157 -0.965 . . . . 0.0 112.413 176.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.94 -51.7 65.89 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.155 -0.926 . . . . 0.0 112.807 175.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.86 -33.99 77.1 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.454 1.479 . . . . 0.0 112.751 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -71.58 -36.93 71.05 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.778 0.831 . . . . 0.0 112.524 176.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.96 -40.3 87.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.117 1.367 . . . . 0.0 112.585 171.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -65.39 -18.64 65.47 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 173.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 75.5 mtm . . . . . 0 CA--C 1.546 0.806 0 C-N-CA 126.167 1.787 . . . . 0.0 113.637 172.273 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 34.8 p . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -33.64 72.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.561 0.745 . . . . 0.0 111.732 170.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -66.95 -38.95 87.08 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.367 -0.833 . . . . 0.0 112.347 174.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -63.18 -47.87 80.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.207 0.912 . . . . 0.0 112.236 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.07 -40.16 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 118.936 -0.554 . . . . 0.0 112.055 175.281 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.72 -44.76 93.61 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.212 0.915 . . . . 0.0 111.795 174.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -62.09 -53.14 59.63 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.004 0.922 . . . . 0.0 112.405 178.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.2 -42.41 84.21 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.965 -0.459 . . . . 0.0 112.015 -175.263 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.6 tp -74.4 -24.34 59.1 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.01 67.51 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.981 -1.075 . . . . 0.0 113.095 166.239 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -66.54 -45.95 77.73 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.921 -1.112 . . . . 0.0 112.394 -177.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 73.7 p -61.68 -42.08 98.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 171.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.65 -38.79 86.02 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.52 1.128 . . . . 0.0 112.753 175.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 90.5 m -60.86 -40.62 93.62 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.377 -0.827 . . . . 0.0 111.438 173.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -72.7 -34.18 66.96 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.276 -0.89 . . . . 0.0 112.895 177.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.07 -50.72 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.224 0.92 . . . . 0.0 109.991 171.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -61.84 -41.06 97.36 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.56 0.744 . . . . 0.0 112.785 177.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -59.5 -46.33 89.13 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.382 1.073 . . . . 0.0 112.489 174.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 -47.5 83.76 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.572 0.749 . . . . 0.0 111.915 176.473 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -64.98 -39.7 93.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.616 0.766 . . . . 0.0 112.325 -179.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.38 94.39 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.522 0.729 . . . . 0.0 112.291 174.204 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.73 84.83 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.543 -0.723 . . . . 0.0 112.719 177.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.15 -41.14 97.99 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.856 1.262 . . . . 0.0 112.006 177.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 . . . . . 0 CA--C 1.538 0.491 0 C-N-CA 123.561 0.744 . . . . 0.0 111.827 174.459 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo . . . . . 0 CA--C 1.538 0.692 0 CA-C-O 121.749 0.645 . . . . 0.0 113.009 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.06 -31.28 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -171.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -65.56 -30.97 71.78 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.304 -0.872 . . . . 0.0 112.693 176.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -73.07 -53.4 11.18 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.156 -0.965 . . . . 0.0 111.519 177.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.73 -31.85 73.16 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.377 -0.827 . . . . 0.0 112.475 178.111 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -62.9 -57.34 11.15 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.348 1.059 . . . . 0.0 111.677 170.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.53 73.29 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.913 -1.117 . . . . 0.0 113.147 -178.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.67 -46.8 83.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.993 0.815 . . . . 0.0 111.823 176.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.33 -33.71 76.33 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.329 0.968 . . . . 0.0 112.211 -179.022 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -69.21 -54.27 15.68 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.57 -0.706 . . . . 0.0 110.677 174.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.95 -42.34 93.86 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.236 1.815 . . . . 0.0 112.603 -176.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -17.04 58.24 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -176.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.2 mtt -84.85 -6.28 59.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.671 1.188 . . . . 0.0 112.814 164.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.693 0 C-N-CA 125.595 1.569 . . . . 0.0 114.843 -177.018 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -68.28 -38.83 82.1 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.29 -0.881 . . . . 0.0 111.642 174.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -65.82 -46.39 78.8 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.393 -0.817 . . . . 0.0 111.628 -178.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.85 -41.59 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.708 0.803 . . . . 0.0 111.505 178.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -60.95 -46.1 92.07 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.389 0.995 . . . . 0.0 111.73 173.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -64.86 -48.81 72.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.106 0.962 . . . . 0.0 112.609 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.05 -45.76 92.15 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.99 0.814 . . . . 0.0 111.82 178.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 tp -74.1 -34.99 64.14 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.366 0.666 . . . . 0.0 112.169 -175.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.15 82.67 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.724 0.809 . . . . 0.0 112.863 171.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -58.97 -45.8 89.65 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.495 1.118 . . . . 0.0 111.114 173.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 t -62.11 -48.46 80.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.184 0.994 . . . . 0.0 112.58 175.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.78 -42.55 97.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.014 0.926 . . . . 0.0 112.865 176.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.5 m -60.09 -37.73 80.84 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.46 -0.775 . . . . 0.0 111.502 178.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -70.14 -32.56 70.61 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.34 -50.79 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.368 0.985 . . . . 0.0 109.677 171.759 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.36 -41.59 97.31 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.595 1.158 . . . . 0.0 111.954 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -63.5 -42.12 98.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.987 0.915 . . . . 0.0 112.584 175.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.08 -45.72 87.43 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.695 0.798 . . . . 0.0 112.488 175.015 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.16 -42.9 99.7 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 118.933 -0.555 . . . . 0.0 111.974 176.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.87 96.48 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.369 0.668 . . . . 0.0 112.415 175.154 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.49 -45.29 87.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.368 0.667 . . . . 0.0 112.779 178.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 CA--C 1.543 0.681 0 C-N-CA 124.442 1.097 . . . . 0.0 111.549 177.743 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 CA--C 1.535 0.567 0 CA-C-O 121.886 0.702 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 8.1 tt -60.29 -30.03 45.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -174.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.21 -33.37 75.84 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.597 -0.69 . . . . 0.0 112.401 175.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -77.66 -47.2 19.82 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.602 0.761 . . . . 0.0 111.93 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.68 -32.15 73.28 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.656 -1.278 . . . . 0.0 112.445 175.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.7 t -59.94 -46.33 89.74 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.967 0.907 . . . . 0.0 112.175 166.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.69 99.49 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.086 -1.009 . . . . 0.0 111.623 176.207 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.12 -46.5 88.78 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.5 0.72 . . . . 0.0 112.462 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.95 -33.68 75.13 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.522 1.51 . . . . 0.0 112.797 177.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -69.8 -38.37 76.61 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.56 0.744 . . . . 0.0 111.872 174.114 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -64.31 -40.67 96.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.076 1.35 . . . . 0.0 112.098 171.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -65.58 -34.25 77.81 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 175.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 172.39 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.469 0.481 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -33.82 53.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.272 1.029 . . . . 0.0 111.898 164.483 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -67.39 -30.17 69.88 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.743 0.817 . . . . 0.0 112.881 176.086 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -77.14 -48.24 18.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.154 0.982 . . . . 0.0 112.011 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.78 -42.02 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.909 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -48.05 80.06 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.868 0.758 . . . . 0.0 112.36 177.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -68.06 -49.45 61.28 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.815 -0.553 . . . . 0.0 111.784 178.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 26.6 tp -66.99 -41.39 86.82 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.622 -0.674 . . . . 0.0 112.808 -173.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.7 tp -69.93 -37.26 75.84 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.869 0.868 . . . . 0.0 112.652 176.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.07 -39.08 86.77 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 175.18 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -62.91 -46.58 87.16 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.289 0.949 . . . . 0.0 111.655 175.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 23.1 t -58.19 -47.11 84.44 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.6 -41.9 98.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.957 0.903 . . . . 0.0 112.303 177.434 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.2 m -63.07 -36.73 84.55 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.333 -0.854 . . . . 0.0 112.111 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -64.39 -33.32 75.58 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.236 -0.915 . . . . 0.0 113.087 177.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.82 -47.68 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.157 -0.965 . . . . 0.0 110.281 173.222 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.36 -32.22 73.01 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.579 1.152 . . . . 0.0 113.005 -175.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -60.19 -46.34 90.04 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.764 0.826 . . . . 0.0 111.927 170.059 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 -39.59 72.51 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 178.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -59.32 -43.62 92.66 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.335 0.97 . . . . 0.0 111.828 172.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.59 94.35 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.474 0.71 . . . . 0.0 112.707 176.299 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.68 97.75 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.696 0.68 . . . . 0.0 112.819 175.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.61 -44.22 91.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.914 0.886 . . . . 0.0 111.092 176.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 CA--C 1.545 0.781 0 O-C-N 121.077 -1.014 . . . . 0.0 112.566 175.572 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 CA--C 1.536 0.594 0 CA-C-O 122.41 0.921 . . . . 0.0 113.633 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.3 tt -70.28 -27.14 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -164.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -69.55 -29.75 67.4 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.684 -0.635 . . . . 0.0 112.26 173.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -71.71 -52.06 19.73 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.016 0.927 . . . . 0.0 111.733 178.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.46 -34.38 78.16 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.542 -0.724 . . . . 0.0 112.23 177.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.2 t -62.31 -42.82 99.68 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.401 1.08 . . . . 0.0 112.524 169.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.38 95.18 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.001 -1.062 . . . . 0.0 111.873 174.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.61 -45.48 92.7 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 112.637 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.47 -35.05 78.42 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.141 1.337 . . . . 0.0 112.603 178.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -64.99 -46.37 81.73 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.653 0.781 . . . . 0.0 111.614 172.188 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -64.73 -33.1 75.17 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.225 1.01 . . . . 0.0 112.644 178.166 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -60.74 -37.76 82.84 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.195 0.907 . . . . 0.0 112.962 171.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.6 mtm -87.46 4.26 44.01 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.99 1.316 . . . . 0.0 114.176 173.012 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.413 0 C-N-CA 124.6 1.095 . . . . 0.0 115.527 179.124 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.818 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.55 -32.84 74.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.628 0.771 . . . . 0.0 112.994 176.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -73.85 -46.18 46.57 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.595 0.758 . . . . 0.0 111.617 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 tt -65.7 -40.97 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.89 176.245 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -59.34 -45.48 91.27 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.773 1.169 . . . . 0.0 111.806 175.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -64.91 -51.59 61.06 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.68 -42.34 95.41 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.935 0.788 . . . . 0.0 112.897 -178.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 tp -77.15 -24.29 51.57 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.052 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.81 -38.34 62.11 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.331 -0.855 . . . . 0.0 113.033 164.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -57.98 -53.32 59.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.97 1.308 . . . . 0.0 112.381 178.221 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.9 p -64.01 -39.08 93.3 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.134 0.573 . . . . 0.0 112.177 177.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.94 -40.3 95.07 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.137 0.975 . . . . 0.0 112.32 174.008 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.1 m -61.52 -41.94 98.07 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.265 -0.897 . . . . 0.0 111.62 175.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.45 -34.18 76.67 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.44 -0.787 . . . . 0.0 113.047 177.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.8 mt -58.44 -49.9 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 119.228 0.922 . . . . 0.0 109.554 169.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -60.43 -38.14 83.15 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.844 -179.265 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -62.59 -53.43 54.74 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.451 1.023 . . . . 0.0 112.009 173.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.47 -34.99 63.28 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -171.192 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -60.9 -46.86 88.95 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.119 0.872 . . . . 0.0 111.542 171.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.77 97.93 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.228 0.611 . . . . 0.0 111.975 177.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.69 86.24 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.821 0.737 . . . . 0.0 112.435 178.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 . . . . . 0 CA--C 1.546 0.807 0 C-N-CA 124.363 1.065 . . . . 0.0 111.669 178.341 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 CA--C 1.537 0.632 0 CA-C-O 121.904 0.71 . . . . 0.0 113.148 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.3 tt -63.86 -30.0 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -173.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -63.81 -35.25 80.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.232 0.613 . . . . 0.0 112.148 175.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -71.68 -52.15 19.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.201 1.001 . . . . 0.0 111.612 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.04 -32.0 73.22 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.822 0.737 . . . . 0.0 112.365 178.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t -65.99 -37.8 86.87 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.281 1.033 . . . . 0.0 112.713 173.102 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.43 72.02 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.589 -0.694 . . . . 0.0 112.088 171.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.02 -41.68 97.35 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.351 1.06 . . . . 0.0 113.139 -178.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.82 -34.78 78.95 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.742 1.61 . . . . 0.0 112.145 178.055 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.4 -40.39 73.91 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.142 0.977 . . . . 0.0 111.426 175.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -64.78 -41.43 95.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.3 1.44 . . . . 0.0 112.438 175.05 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -65.57 -30.82 71.61 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.379 -0.826 . . . . 0.0 112.54 173.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 69.3 mtm . . . . . 0 CA--C 1.547 0.837 0 C-N-CA 124.949 1.3 . . . . 0.0 113.88 169.822 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 111.547 0.203 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.4 mmt -57.69 -29.61 64.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.261 0.624 . . . . 0.0 112.533 168.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.64 -39.58 88.32 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.4 -0.812 . . . . 0.0 112.204 172.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -63.82 -50.56 68.44 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.397 0.544 . . . . 0.0 111.595 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 tt -66.08 -41.42 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.362 0.665 . . . . 0.0 112.114 -178.33 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -62.76 -38.59 91.16 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.164 0.893 . . . . 0.0 112.308 175.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -69.04 -56.55 7.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.458 0.703 . . . . 0.0 112.279 176.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.6 -44.4 90.73 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.618 0.767 . . . . 0.0 112.232 -174.47 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.57 -34.38 72.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.017 0.527 . . . . 0.0 112.017 -177.299 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.74 73.59 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 170.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -61.25 -47.58 85.39 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.211 -0.93 . . . . 0.0 111.555 176.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 69.0 m -61.17 -42.48 98.64 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.57 -38.7 88.48 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.527 -0.733 . . . . 0.0 112.726 176.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 94.9 m -63.08 -39.22 94.08 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.211 -0.931 . . . . 0.0 112.052 175.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -67.55 -34.49 77.19 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.997 -1.064 . . . . 0.0 113.153 178.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.25 -50.58 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.688 -0.632 . . . . 0.0 109.865 172.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.14 -38.25 90.02 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.89 0.876 . . . . 0.0 112.344 -179.105 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 45.5 ttm180 -58.25 -47.66 82.86 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.746 1.218 . . . . 0.0 112.149 175.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.83 -42.94 80.68 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.326 0.651 . . . . 0.0 112.216 177.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -65.52 -38.64 90.28 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.61 97.18 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.232 0.613 . . . . 0.0 111.987 174.642 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.51 87.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.377 0.671 . . . . 0.0 112.132 176.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -63.82 -43.27 96.73 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.96 0.904 . . . . 0.0 111.676 178.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 . . . . . 0 CA--C 1.537 0.453 0 O-C-N 120.562 -1.336 . . . . 0.0 112.496 175.116 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 CA--C 1.534 0.488 0 CA-C-O 121.935 0.723 . . . . 0.0 113.454 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.12 -31.55 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.005 0.922 . . . . 0.0 113.483 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.56 -33.8 76.77 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.824 0.85 . . . . 0.0 112.222 175.031 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -75.2 -51.78 12.54 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.874 0.87 . . . . 0.0 111.541 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.06 -31.1 72.15 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.289 -0.882 . . . . 0.0 112.789 178.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.1 t -68.53 -34.29 75.61 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.91 0.884 . . . . 0.0 112.974 171.645 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.17 -32.87 65.11 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.536 -1.352 . . . . 0.0 113.004 170.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.67 -45.3 87.27 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.988 -1.07 . . . . 0.0 111.837 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.37 -35.54 81.26 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.052 1.296 . . . . 0.0 112.587 177.275 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -65.06 -45.23 86.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.782 0.833 . . . . 0.0 111.346 173.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -66.08 -32.44 73.9 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.632 0.773 . . . . 0.0 112.851 176.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -68.07 -31.04 70.39 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.738 -1.226 . . . . 0.0 113.339 170.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.8 mtt -80.24 -9.29 59.72 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.004 1.321 . . . . 0.0 113.594 171.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.545 0 C-N-CA 125.062 1.315 . . . . 0.0 114.972 -178.146 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.43 -33.23 75.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.273 0.629 . . . . 0.0 112.554 176.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -74.06 -48.58 28.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.848 0.859 . . . . 0.0 111.584 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 tt -63.71 -39.76 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 121.722 -0.611 . . . . 0.0 112.03 176.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -58.61 -35.86 73.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.241 0.928 . . . . 0.0 112.181 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.59 -55.17 6.2 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.542 0.737 . . . . 0.0 112.14 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.6 -45.49 92.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.248 0.619 . . . . 0.0 112.404 -174.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.5 tp -72.01 -34.68 69.06 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.229 0.612 . . . . 0.0 111.904 -176.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.46 75.81 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 172.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -64.87 -42.94 94.43 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.214 -0.929 . . . . 0.0 111.979 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.7 t -60.33 -44.45 95.48 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.433 0.693 . . . . 0.0 112.214 172.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.65 -39.34 91.0 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.144 0.978 . . . . 0.0 112.74 174.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.6 m -61.54 -39.31 90.63 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.715 -1.241 . . . . 0.0 111.954 175.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -68.76 -27.95 66.36 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.791 0.836 . . . . 0.0 112.932 177.568 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.08 -55.1 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 120.579 -1.326 . . . . 0.0 109.94 168.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -62.19 -36.86 83.2 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.086 0.954 . . . . 0.0 112.448 -175.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -56.11 -51.67 67.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.607 1.563 . . . . 0.0 112.212 172.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.87 -36.59 72.86 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.485 0.714 . . . . 0.0 112.47 -178.531 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.95 -43.46 95.77 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.642 0.655 . . . . 0.0 112.654 173.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.53 98.99 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.517 0.599 . . . . 0.0 111.738 175.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.21 85.49 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 175.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 . . . . . 0 CA--C 1.548 0.902 0 C-N-CA 124.744 1.218 . . . . 0.0 111.463 177.436 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.236 0.378 0 CA-C-O 121.818 0.674 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 10.1 tp -57.71 -30.85 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.216 1.007 . . . . 0.0 113.331 -176.319 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -61.26 -32.11 71.93 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.751 1.22 . . . . 0.0 113.16 176.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -78.89 -54.91 5.57 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.241 1.016 . . . . 0.0 111.956 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.09 -30.06 71.15 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.112 -0.992 . . . . 0.0 112.541 179.038 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 23.2 t -70.98 -32.6 69.48 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 171.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.87 -36.49 75.54 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.886 1.221 . . . . 0.0 112.756 170.604 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.58 -44.56 93.3 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.854 0.862 . . . . 0.0 112.021 -179.262 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.15 -29.05 67.0 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.633 1.106 . . . . 0.0 113.368 178.121 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -67.66 -50.89 55.54 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.844 0.858 . . . . 0.0 110.858 175.234 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -72.98 -21.8 60.79 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -60.48 -35.97 77.18 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.898 -1.126 . . . . 0.0 112.174 165.012 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 67.7 mtm . . . . . 0 CA--C 1.546 0.81 0 C-N-CA 125.499 1.52 . . . . 0.0 113.457 171.099 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 54.8 p . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 121.502 0.668 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -28.54 67.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.61 0.764 . . . . 0.0 112.971 175.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -74.36 -29.12 61.43 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.653 1.181 . . . . 0.0 112.779 176.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -75.97 -44.06 41.63 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.101 -0.999 . . . . 0.0 112.31 179.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.81 -38.94 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.848 0.859 . . . . 0.0 112.211 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -56.06 -44.64 79.1 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.928 0.785 . . . . 0.0 111.509 177.423 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -66.76 -51.88 50.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.759 0.824 . . . . 0.0 111.6 -179.18 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.29 -45.83 89.57 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.847 0.859 . . . . 0.0 112.383 -177.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.3 tp -73.13 -34.41 66.09 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.257 0.623 . . . . 0.0 111.716 -174.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.01 77.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.645 0.778 . . . . 0.0 112.762 170.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -62.16 -43.09 99.61 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.25 -0.907 . . . . 0.0 111.847 175.035 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 26.7 t -63.3 -45.52 91.01 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.618 0.767 . . . . 0.0 112.073 175.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.63 -40.76 93.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.734 1.213 . . . . 0.0 112.862 175.139 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 80.4 m -60.39 -39.23 86.55 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.566 0.746 . . . . 0.0 112.328 179.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.75 -31.52 72.21 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.424 -0.798 . . . . 0.0 112.807 177.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.5 -51.84 68.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 O-C-N 120.971 -1.081 . . . . 0.0 110.027 173.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.26 -41.33 96.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.487 1.115 . . . . 0.0 112.08 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -59.04 -48.66 80.79 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.283 1.433 . . . . 0.0 112.313 176.271 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.6 -34.25 69.7 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 179.42 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.39 -41.56 98.76 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.033 0.833 . . . . 0.0 112.481 171.26 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.36 99.26 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.38 0.672 . . . . 0.0 112.109 175.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.89 95.63 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.551 0.741 . . . . 0.0 112.284 174.38 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.05 -42.76 99.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.512 1.125 . . . . 0.0 111.477 177.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 . . . . . 0 CA--C 1.543 0.707 0 O-C-N 121.158 -0.964 . . . . 0.0 112.549 175.592 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 CA--C 1.537 0.663 0 CA-C-O 121.801 0.667 . . . . 0.0 113.472 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 tp -59.79 -31.71 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.73 0.812 . . . . 0.0 112.886 178.42 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -64.66 -39.03 92.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.037 0.935 . . . . 0.0 112.796 175.625 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -70.57 -49.63 45.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.545 0.738 . . . . 0.0 111.659 -176.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.08 -32.36 73.77 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.313 -0.867 . . . . 0.0 112.507 176.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.5 m -67.87 -38.87 83.63 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.393 0.677 . . . . 0.0 112.458 172.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.24 79.63 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.888 -1.133 . . . . 0.0 112.393 172.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.17 -50.46 65.86 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.753 1.221 . . . . 0.0 112.103 175.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.85 -34.92 79.26 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.533 1.061 . . . . 0.0 112.893 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -68.21 -45.07 74.35 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.651 -0.656 . . . . 0.0 112.009 177.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.76 -29.74 64.83 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.023 0.828 . . . . 0.0 112.914 177.232 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.77 -33.19 75.29 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.904 -1.123 . . . . 0.0 112.432 169.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.7 mtm -82.21 9.66 8.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.573 1.149 . . . . 0.0 113.959 170.07 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.321 0 C-N-CA 124.748 1.166 . . . . 0.0 115.875 171.956 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.89 -31.09 72.16 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.044 0.938 . . . . 0.0 113.443 172.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -79.97 -47.91 14.22 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.223 1.009 . . . . 0.0 112.335 -178.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.09 -37.35 78.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.004 174.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.52 -46.01 84.33 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.563 1.074 . . . . 0.0 111.548 174.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -66.68 -54.65 20.89 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.627 0.649 . . . . 0.0 112.076 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.56 -44.09 97.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.89 0.876 . . . . 0.0 111.898 -174.261 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.1 tp -76.29 -25.88 55.33 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -176.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -36.15 59.11 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.301 -0.874 . . . . 0.0 112.766 169.423 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -61.98 -51.32 68.54 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.359 1.064 . . . . 0.0 111.734 -179.331 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -62.96 -37.0 85.34 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.588 0.755 . . . . 0.0 112.888 175.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -60.93 -42.6 98.46 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.087 -1.008 . . . . 0.0 112.265 172.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -59.42 -38.68 81.24 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.463 -0.773 . . . . 0.0 112.013 178.378 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.91 -34.44 77.78 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.946 -1.096 . . . . 0.0 113.053 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.87 -46.51 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.313 -0.867 . . . . 0.0 110.015 172.711 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.06 -39.51 94.23 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.502 1.121 . . . . 0.0 112.062 179.267 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -62.92 -46.55 87.25 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.157 0.89 . . . . 0.0 112.515 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.43 -38.04 83.93 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.338 0.517 . . . . 0.0 112.068 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -64.71 -40.16 94.88 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 173.009 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.14 97.45 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.296 0.639 . . . . 0.0 112.174 174.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.49 94.93 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.615 0.766 . . . . 0.0 112.218 175.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.543 0.675 0 C-N-CA 123.954 0.902 . . . . 0.0 111.257 174.77 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo . . . . . 0 CA--C 1.535 0.562 0 CA-C-O 122.269 0.862 . . . . 0.0 114.155 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.7 tt -64.16 -32.33 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -168.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -65.66 -35.24 80.22 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.064 -1.023 . . . . 0.0 112.018 172.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -76.14 -42.69 45.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.035 0.934 . . . . 0.0 112.581 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.76 -30.9 70.47 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 121.038 1.744 . . . . 0.0 111.978 176.007 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 44.7 t -66.35 -41.48 89.49 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.484 0.713 . . . . 0.0 112.087 168.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.04 89.09 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.942 -1.099 . . . . 0.0 112.291 173.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.82 -46.29 75.62 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.832 1.253 . . . . 0.0 112.624 179.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.31 -34.37 78.18 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.869 1.213 . . . . 0.0 111.231 177.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -67.4 -39.05 85.54 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.781 0.832 . . . . 0.0 112.545 171.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -64.97 -34.96 79.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.82 1.248 . . . . 0.0 112.3 176.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -61.8 -26.34 68.04 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.223 -0.923 . . . . 0.0 113.344 170.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 38.5 mtt . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 126.055 1.742 . . . . 0.0 113.412 175.855 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -38.4 70.68 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.797 1.239 . . . . 0.0 112.57 177.077 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.28 -20.59 65.66 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.199 1.0 . . . . 0.0 113.518 176.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -78.65 -56.28 4.54 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.104 0.961 . . . . 0.0 110.189 174.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 6.7 tt -63.41 -37.03 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.253 1.021 . . . . 0.0 112.215 -178.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.09 -29.92 68.9 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.956 1.253 . . . . 0.0 112.912 175.405 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -79.32 -53.88 6.5 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.862 0.756 . . . . 0.0 111.769 173.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.33 -46.13 91.0 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.823 0.849 . . . . 0.0 112.864 -176.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 20.9 tp -75.82 -22.33 56.41 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.446 1.098 . . . . 0.0 113.236 -176.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.28 -33.44 49.5 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.048 -1.033 . . . . 0.0 112.663 167.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -65.49 -42.59 91.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.101 0.96 . . . . 0.0 112.599 -178.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 72.1 p -64.13 -42.52 96.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.221 0.608 . . . . 0.0 111.941 172.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.78 -40.46 88.33 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.851 1.26 . . . . 0.0 112.247 174.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 53.4 m -60.03 -41.83 93.07 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.234 -0.916 . . . . 0.0 112.144 173.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.92 -32.24 70.43 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 176.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.11 -53.22 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 120.745 -1.222 . . . . 0.0 110.024 169.582 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.64 -40.5 95.1 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.85 0.86 . . . . 0.0 112.251 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -60.54 -44.95 95.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.952 1.301 . . . . 0.0 112.892 175.056 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.43 -35.07 65.74 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.688 0.676 . . . . 0.0 112.512 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -60.64 -44.79 95.98 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.731 0.696 . . . . 0.0 111.694 170.242 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.43 98.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.341 0.657 . . . . 0.0 112.191 176.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.38 95.55 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.738 0.815 . . . . 0.0 112.786 177.663 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -63.14 -38.69 92.16 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.528 1.131 . . . . 0.0 112.345 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 123.516 0.726 . . . . 0.0 112.523 175.54 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 112.044 -0.422 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -68.88 165.57 29.42 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.768 2.978 . . . . 0.0 112.66 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.74 158.12 44.5 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.129 0.871 . . . . 0.0 114.226 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.9 p -72.86 -16.36 61.59 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -142.26 153.32 43.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.54 1.536 . . . . 0.0 111.72 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -83.48 32.27 0.46 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.638 1.575 . . . . 0.0 112.964 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.29 107.79 3.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.864 1.666 . . . . 0.0 112.622 -168.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.19 33.1 17.28 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 126.796 2.038 . . . . 0.0 115.087 170.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.0 151.81 85.18 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 124.905 1.282 . . . . 0.0 112.862 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.23 163.34 38.98 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.048 2.499 . . . . 0.0 113.65 -172.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 tp -59.65 -31.31 46.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.373 1.069 . . . . 0.0 113.793 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.21 -37.29 86.83 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.348 -0.845 . . . . 0.0 112.473 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -72.69 -49.88 28.54 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.367 0.667 . . . . 0.0 112.098 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -67.81 -31.97 72.19 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.124 0.875 . . . . 0.0 112.302 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.9 t -62.5 -49.59 74.75 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.693 0.797 . . . . 0.0 111.812 168.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.18 90.11 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.323 -0.861 . . . . 0.0 111.74 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.53 -51.34 65.89 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.002 -0.999 . . . . 0.0 112.475 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.96 -33.85 76.75 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.689 1.586 . . . . 0.0 112.545 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -71.2 -35.3 71.5 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.465 0.706 . . . . 0.0 112.731 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.3 -38.18 81.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.105 1.362 . . . . 0.0 112.187 171.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -62.65 -27.38 69.18 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.218 -0.926 . . . . 0.0 113.171 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 66.8 mtm -96.06 3.22 53.54 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.349 1.46 . . . . 0.0 114.083 172.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.64 43.63 97.63 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.354 1.454 . . . . 0.0 115.143 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -60.9 158.42 13.22 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -176.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -90.8 45.86 1.29 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.555 1.542 . . . . 0.0 112.217 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.9 51.08 42.61 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 124.769 1.176 . . . . 0.0 113.833 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.62 -160.68 23.72 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.861 1.696 . . . . 0.0 115.101 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.77 162.51 25.23 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.754 1.169 . . . . 0.0 113.623 -175.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 p -156.52 170.63 21.92 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.104 1.362 . . . . 0.0 112.648 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.38 13.66 44.77 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 124.927 1.251 . . . . 0.0 115.235 172.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.89 41.47 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 118.658 1.229 . . . . 0.0 114.681 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.9 59.59 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.797 1.189 . . . . 0.0 115.801 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.0 p -71.16 169.27 15.44 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.541 1.537 . . . . 0.0 112.052 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -35.01 70.93 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.344 -0.847 . . . . 0.0 111.803 170.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -67.39 -38.59 84.94 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.077 -1.015 . . . . 0.0 112.175 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -61.81 -50.52 71.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.212 1.005 . . . . 0.0 111.924 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.01 -43.27 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 112.16 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -59.2 -44.31 92.23 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.706 1.139 . . . . 0.0 112.123 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -64.71 -48.64 73.93 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.637 0.653 . . . . 0.0 112.387 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.51 -47.48 85.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.757 0.708 . . . . 0.0 112.258 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -78.02 -23.58 48.17 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -173.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.7 -39.67 66.83 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.371 -0.831 . . . . 0.0 112.216 165.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -62.91 -46.75 86.32 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.919 0.887 . . . . 0.0 112.147 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.2 p -62.9 -41.59 99.49 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.19 -41.46 99.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.228 1.011 . . . . 0.0 112.49 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.3 m -60.94 -41.08 95.54 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.3 -0.875 . . . . 0.0 111.815 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -67.28 -34.86 78.29 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.032 -1.042 . . . . 0.0 113.064 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.9 mt -57.42 -52.1 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.524 -0.735 . . . . 0.0 109.931 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.28 -37.88 89.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.826 0.85 . . . . 0.0 112.562 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -58.86 -48.31 81.8 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.727 1.211 . . . . 0.0 111.985 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.63 -41.42 83.95 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.411 0.684 . . . . 0.0 112.35 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.57 -41.42 96.3 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.866 0.757 . . . . 0.0 112.788 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.77 91.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.439 0.696 . . . . 0.0 112.3 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.29 84.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.336 0.654 . . . . 0.0 112.178 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -57.04 -50.81 71.6 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.486 1.514 . . . . 0.0 111.531 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -62.84 -37.88 88.59 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.666 0.786 . . . . 0.0 112.665 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.07 -49.95 39.11 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.45 -28.27 65.96 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.3 -33.32 73.39 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.439 0.904 . . . . 0.0 113.439 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -92.32 -31.02 15.53 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.15 -40.14 74.94 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.179 0.9 . . . . 0.0 113.313 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -77.96 -6.39 54.26 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -74.89 -16.5 60.67 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.946 1.698 . . . . 0.0 115.263 -173.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.798 1.639 . . . . 0.0 114.032 179.407 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -67.64 148.39 77.94 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.869 3.046 . . . . 0.0 112.717 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.58 -1.67 87.49 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.603 1.097 . . . . 0.0 115.435 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 82.9 p -154.67 167.11 31.24 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.617 1.567 . . . . 0.0 112.563 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 55.43 66.84 1.12 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.834 2.054 . . . . 0.0 114.185 176.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.68 135.01 56.4 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.044 0.937 . . . . 0.0 111.688 171.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -155.94 156.22 34.17 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.423 1.489 . . . . 0.0 110.739 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.4 20.79 4.98 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.523 1.929 . . . . 0.0 115.188 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.08 153.38 94.69 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 124.62 1.168 . . . . 0.0 112.116 172.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -62.1 155.54 55.38 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.37 2.713 . . . . 0.0 112.885 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.31 -30.36 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -63.72 -36.86 85.26 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.409 0.684 . . . . 0.0 112.016 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -71.37 -51.52 23.71 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.261 -0.899 . . . . 0.0 111.793 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.48 -32.15 73.67 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.712 -0.617 . . . . 0.0 112.492 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 55.2 m -70.11 -41.05 74.49 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.786 0.834 . . . . 0.0 112.801 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.58 -34.51 78.41 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.082 -1.011 . . . . 0.0 112.272 172.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.17 -49.25 68.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.103 0.961 . . . . 0.0 111.937 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.53 -32.91 74.56 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.631 1.56 . . . . 0.0 112.943 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -68.15 -44.33 76.25 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.798 0.726 . . . . 0.0 112.56 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.42 -25.44 59.44 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.84 -38.83 89.68 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.993 -1.067 . . . . 0.0 112.413 165.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 75.1 mtm -81.34 8.62 8.74 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.822 1.249 . . . . 0.0 113.915 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.91 8.34 65.18 Favored Glycine 0 CA--C 1.536 1.387 0 N-CA-C 116.928 1.531 . . . . 0.0 116.928 169.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -68.94 155.89 39.51 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.656 1.728 . . . . 0.0 112.183 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -77.31 64.64 2.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.801 1.241 . . . . 0.0 111.614 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 83.15 -139.65 19.27 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.304 1.43 . . . . 0.0 112.792 -174.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -168.58 -155.05 9.29 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.661 1.124 . . . . 0.0 113.283 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -162.84 -138.1 2.33 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.817 1.199 . . . . 0.0 112.78 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 43.8 t -58.76 134.65 57.03 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.899 0.88 . . . . 0.0 112.363 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -78.38 -7.82 87.76 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.429 1.014 . . . . 0.0 115.016 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.34 -154.66 53.23 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 118.349 1.075 . . . . 0.0 113.525 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 176.01 -10.64 0.03 OUTLIER Glycine 0 CA--C 1.538 1.472 0 N-CA-C 116.401 1.32 . . . . 0.0 116.401 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.7 m -73.31 159.95 32.6 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.097 1.448 . . . . 0.0 111.813 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -36.42 69.98 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.458 -0.776 . . . . 0.0 112.674 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -65.66 -31.64 72.77 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.07 0.948 . . . . 0.0 113.016 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -70.34 -49.55 48.18 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.276 -0.89 . . . . 0.0 111.008 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 10.2 tt -67.84 -40.41 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.61 0.764 . . . . 0.0 112.23 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -60.34 -27.68 67.56 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.936 1.243 . . . . 0.0 112.965 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -78.88 -63.19 1.47 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.958 0.799 . . . . 0.0 112.053 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.2 -39.44 86.33 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.588 0.631 . . . . 0.0 112.621 -169.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.2 -23.14 61.21 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.86 -40.45 24.78 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.165 0.986 . . . . 0.0 112.656 170.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -62.73 -47.99 81.17 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.983 0.913 . . . . 0.0 111.703 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 61.6 p -60.81 -39.02 87.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.51 -41.33 98.76 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.754 -1.216 . . . . 0.0 112.748 171.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.1 m -60.69 -40.09 90.91 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.317 -0.865 . . . . 0.0 111.555 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -66.7 -32.6 74.02 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.268 -0.895 . . . . 0.0 112.768 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.57 -53.66 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.697 1.135 . . . . 0.0 110.148 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.69 -39.79 89.79 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.755 0.822 . . . . 0.0 112.513 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -56.61 -52.42 64.92 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.821 1.648 . . . . 0.0 112.009 173.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.83 -32.12 63.55 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -61.33 -45.87 92.6 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.183 0.902 . . . . 0.0 112.124 168.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.0 97.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.097 0.559 . . . . 0.0 112.183 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.56 83.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.453 0.701 . . . . 0.0 112.692 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -61.26 -44.87 96.54 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.77 1.228 . . . . 0.0 111.533 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.72 -45.16 95.3 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.639 0.776 . . . . 0.0 112.324 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.29 93.73 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.062 0.945 . . . . 0.0 113.487 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.5 pp -77.85 -29.94 50.73 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.07 -46.66 83.33 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.185 -0.947 . . . . 0.0 111.913 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -73.14 -19.63 61.09 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -77.48 -34.43 54.27 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.85 0.86 . . . . 0.0 112.802 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -109.29 10.57 25.62 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -171.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -8.64 57.73 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.989 1.316 . . . . 0.0 114.483 166.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 126.995 2.118 . . . . 0.0 113.172 -178.397 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.139 0 CA-C-O 118.536 -1.146 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -69.26 159.27 54.45 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.804 3.003 . . . . 0.0 112.722 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.14 165.65 53.98 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.034 0.826 . . . . 0.0 113.905 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 m -71.43 -20.64 62.08 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -84.97 146.11 27.38 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.901 1.68 . . . . 0.0 112.766 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -138.14 154.44 49.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.416 1.886 . . . . 0.0 111.944 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.26 152.63 27.97 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.021 1.328 . . . . 0.0 112.258 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.53 12.73 1.61 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.89 2.476 . . . . 0.0 117.035 172.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 156.09 88.78 Favored Pre-proline 0 CA--C 1.554 1.132 0 C-N-CA 124.898 1.279 . . . . 0.0 112.069 171.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.68 157.43 61.0 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.455 2.77 . . . . 0.0 113.769 -174.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.38 -29.5 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -167.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -71.72 -17.56 62.2 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -80.35 -61.03 2.1 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.389 0.995 . . . . 0.0 111.005 169.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.34 -36.64 80.75 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -71.05 -31.74 68.26 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.731 0.812 . . . . 0.0 112.524 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.87 -36.84 62.28 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.281 0.946 . . . . 0.0 111.886 171.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.23 -44.58 87.76 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.394 1.077 . . . . 0.0 112.174 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.52 -34.38 78.13 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.419 1.463 . . . . 0.0 112.337 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -64.2 -45.64 87.4 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.794 0.838 . . . . 0.0 111.124 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -64.94 -40.64 95.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.65 1.58 . . . . 0.0 112.992 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -65.23 -33.2 75.42 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.368 -0.832 . . . . 0.0 112.653 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.0 mtm -81.86 5.71 18.0 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.803 1.241 . . . . 0.0 113.815 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.6 2.56 84.65 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.655 1.598 . . . . 0.0 116.725 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -82.55 118.71 23.47 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.244 1.522 . . . . 0.0 110.731 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -77.82 -5.4 50.71 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.84 165.79 54.75 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 124.487 1.042 . . . . 0.0 113.441 169.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.99 -166.23 31.15 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 121.412 -1.052 . . . . 0.0 114.597 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.13 144.64 7.13 Favored Glycine 0 CA--C 1.541 1.706 0 C-N-CA 125.804 1.668 . . . . 0.0 113.638 -175.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 t -159.63 163.96 34.51 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.364 1.466 . . . . 0.0 112.053 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.03 11.86 0.2 Allowed Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.06 1.314 . . . . 0.0 115.007 174.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.2 178.78 20.27 Favored Glycine 0 CA--C 1.543 1.811 0 C-N-CA 124.795 1.188 . . . . 0.0 114.247 -171.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.08 131.32 2.32 Favored Glycine 0 CA--C 1.533 1.171 0 O-C-N 119.407 -2.231 . . . . 0.0 112.299 -3.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.3 t -163.07 155.33 18.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.519 1.927 . . . . 0.0 110.313 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.0 mmt -61.06 -27.67 68.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.505 0.722 . . . . 0.0 112.566 171.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -70.93 -42.31 70.04 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.274 -0.891 . . . . 0.0 112.321 170.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -64.7 -47.49 78.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.751 1.221 . . . . 0.0 112.603 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 tt -61.2 -41.72 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.539 0.736 . . . . 0.0 112.093 175.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -62.65 -47.91 81.63 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.342 0.974 . . . . 0.0 111.174 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -64.36 -36.93 85.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.429 0.691 . . . . 0.0 112.436 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.3 mt -66.5 -52.0 50.65 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.626 0.648 . . . . 0.0 111.692 172.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.56 -23.78 58.82 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.085 0.954 . . . . 0.0 113.471 -170.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.34 89.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.619 0.768 . . . . 0.0 112.996 171.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -68.17 -44.86 75.0 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.582 0.753 . . . . 0.0 112.137 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.9 p -64.27 -40.43 95.97 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.5 -44.23 97.45 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.699 -1.25 . . . . 0.0 111.778 172.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.1 m -59.81 -39.6 85.55 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 121.548 -0.72 . . . . 0.0 111.726 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.91 -35.76 79.03 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.518 -0.739 . . . . 0.0 112.886 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.4 -49.33 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.631 1.105 . . . . 0.0 109.829 172.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -58.83 -43.95 90.81 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.203 0.601 . . . . 0.0 111.818 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -48.5 78.93 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.65 1.18 . . . . 0.0 111.861 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.43 -45.52 83.53 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.492 0.717 . . . . 0.0 112.535 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -62.07 -44.0 97.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.666 0.666 . . . . 0.0 111.859 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.26 95.94 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.172 0.589 . . . . 0.0 112.127 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -48.44 76.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.859 0.863 . . . . 0.0 112.035 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -57.63 -45.56 85.27 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.747 1.219 . . . . 0.0 111.597 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -61.8 -50.68 71.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.58 0.752 . . . . 0.0 112.122 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.88 99.21 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.2 -27.04 60.62 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -70.78 -47.12 61.25 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.811 1.244 . . . . 0.0 112.679 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -65.62 -26.99 68.07 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.48 -19.52 59.36 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -111.61 -7.88 14.25 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -170.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -91.03 10.08 28.14 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.473 1.909 . . . . 0.0 114.786 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.829 2.052 . . . . 0.0 112.334 -179.861 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.3 152.19 79.61 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.885 3.057 . . . . 0.0 112.912 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.52 -12.05 83.41 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.295 0.95 . . . . 0.0 115.23 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 33.5 t -74.4 132.97 42.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.691 1.196 . . . . 0.0 112.406 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -88.58 149.53 23.53 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.829 1.252 . . . . 0.0 111.653 173.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -68.76 140.06 55.33 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.462 0.705 . . . . 0.0 111.923 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -152.35 156.65 40.0 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.605 1.562 . . . . 0.0 111.467 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.78 14.17 1.71 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.722 2.409 . . . . 0.0 116.394 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.01 155.87 70.49 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.934 1.294 . . . . 0.0 111.064 161.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.16 157.8 38.0 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.608 2.872 . . . . 0.0 113.052 -174.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.7 tt -57.66 -34.01 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -172.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -60.19 -30.34 69.29 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.787 0.835 . . . . 0.0 112.608 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -79.92 -58.52 3.13 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.822 0.849 . . . . 0.0 111.053 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.34 -27.21 69.16 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.67 -1.269 . . . . 0.0 113.855 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 37.8 m -73.84 -33.84 64.29 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.552 0.741 . . . . 0.0 112.182 174.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.19 -39.49 63.14 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.61 -0.681 . . . . 0.0 112.367 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.83 -39.88 90.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.622 0.769 . . . . 0.0 112.347 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.52 -37.85 87.96 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.16 1.345 . . . . 0.0 112.323 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -67.88 -40.03 83.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.444 1.097 . . . . 0.0 111.385 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -64.65 -42.28 95.54 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.61 1.564 . . . . 0.0 112.271 173.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -66.69 -31.08 71.52 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.156 0.889 . . . . 0.0 113.047 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 36.9 mtt -79.18 -8.71 59.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 172.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.34 27.08 70.52 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.395 0.997 . . . . 0.0 113.628 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -67.62 164.63 18.74 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.277 1.431 . . . . 0.0 111.983 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -64.26 -20.36 66.01 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 179.16 166.44 35.05 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.756 1.169 . . . . 0.0 112.842 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.78 168.49 54.26 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.544 1.069 . . . . 0.0 114.087 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 179.55 148.79 8.02 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.059 1.314 . . . . 0.0 112.114 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 88.3 p -77.3 154.78 32.55 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.377 1.471 . . . . 0.0 113.71 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -72.52 133.86 20.11 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 123.963 0.792 . . . . 0.0 112.318 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -79.23 -15.61 79.92 Favored Glycine 0 CA--C 1.54 1.61 0 N-CA-C 116.146 1.218 . . . . 0.0 116.146 -174.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.9 -14.64 12.83 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.455 1.503 . . . . 0.0 116.555 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 69.4 m -71.48 153.11 42.46 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.717 1.759 . . . . 0.0 110.693 168.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -41.32 79.03 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.71 -34.75 79.06 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.22 -0.925 . . . . 0.0 112.696 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -70.68 -46.38 63.28 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.993 0.917 . . . . 0.0 111.462 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.2 tt -64.48 -42.09 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 118.603 -0.713 . . . . 0.0 111.57 175.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -55.75 -56.76 16.69 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.403 1.001 . . . . 0.0 111.672 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -69.62 -38.79 77.36 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.726 -0.609 . . . . 0.0 112.424 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 43.2 tp -70.76 -39.76 73.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.522 1.056 . . . . 0.0 112.816 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 28.7 tp -73.48 -34.92 65.57 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.509 0.724 . . . . 0.0 111.991 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.2 73.32 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 171.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -59.26 -43.84 92.43 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.838 1.255 . . . . 0.0 111.936 176.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 56.7 m -66.4 -43.11 86.71 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 172.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.08 -38.23 85.51 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.445 -0.784 . . . . 0.0 111.947 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 89.9 m -60.82 -44.7 96.57 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.03 -1.044 . . . . 0.0 111.667 173.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -68.01 -34.09 75.84 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.549 0.74 . . . . 0.0 112.68 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.1 -51.3 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.273 1.029 . . . . 0.0 110.72 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -60.7 -42.99 98.31 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.928 0.891 . . . . 0.0 112.405 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -55.78 -49.36 73.38 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.488 1.515 . . . . 0.0 111.684 174.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.15 -46.67 79.97 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.74 0.816 . . . . 0.0 112.546 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -63.28 -40.62 97.88 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.853 0.861 . . . . 0.0 112.083 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.16 84.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.96 0.904 . . . . 0.0 112.343 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.97 94.09 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.437 0.695 . . . . 0.0 112.351 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -63.16 -43.09 99.27 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.371 1.068 . . . . 0.0 111.421 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.73 -34.23 77.41 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.903 0.881 . . . . 0.0 113.24 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.18 -43.59 73.9 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.472 -0.767 . . . . 0.0 112.735 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.61 -27.36 55.72 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.59 -46.86 86.34 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.61 0.764 . . . . 0.0 112.5 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -74.26 -29.93 61.9 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.863 0.865 . . . . 0.0 112.7 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.68 -42.81 85.94 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.086 0.954 . . . . 0.0 112.596 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -76.03 -14.95 60.21 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 20.9 ttp-105 -90.9 -12.45 36.1 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.844 2.057 . . . . 0.0 113.916 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.306 1.443 . . . . 0.0 113.669 175.593 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 112.102 -0.399 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.55 154.16 72.17 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.849 3.033 . . . . 0.0 112.552 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.86 -19.6 79.75 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.45 1.024 . . . . 0.0 114.838 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.8 m -145.89 147.48 31.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.076 1.75 . . . . 0.0 111.499 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -86.64 -6.34 58.89 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -173.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -77.83 30.61 0.16 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.412 1.885 . . . . 0.0 113.587 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.19 67.31 3.13 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.851 2.06 . . . . 0.0 113.763 -169.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.92 39.77 30.83 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.284 1.834 . . . . 0.0 114.192 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -57.56 146.17 65.9 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.16 0.984 . . . . 0.0 112.166 172.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -70.86 166.14 29.92 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 123.744 2.962 . . . . 0.0 113.289 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 tt -60.78 -31.0 48.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -63.42 -36.81 84.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.794 0.838 . . . . 0.0 112.587 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -72.23 -51.84 19.2 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.543 0.737 . . . . 0.0 111.64 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -64.98 -30.87 71.89 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.631 1.105 . . . . 0.0 112.553 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -65.51 -43.57 89.67 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.896 1.278 . . . . 0.0 112.227 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.04 74.66 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.229 -1.545 . . . . 0.0 112.8 173.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.79 -45.38 82.61 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.961 0.905 . . . . 0.0 111.684 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.27 -32.96 74.89 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.692 1.133 . . . . 0.0 112.289 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -66.09 -52.57 47.48 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.72 0.691 . . . . 0.0 112.592 173.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.24 -26.71 64.93 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -66.28 -27.33 67.85 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.173 -0.954 . . . . 0.0 112.926 169.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.4 mtt -91.8 2.58 56.41 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.11 1.364 . . . . 0.0 113.451 172.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.08 6.64 89.07 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 124.846 1.213 . . . . 0.0 115.24 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.92 123.75 27.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.911 1.355 . . . . 0.0 111.275 173.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -97.13 -3.36 41.24 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.917 1.287 . . . . 0.0 113.864 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.84 -163.84 39.55 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.732 1.634 . . . . 0.0 115.162 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.89 -178.9 41.78 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 126.078 1.799 . . . . 0.0 112.676 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.17 -15.63 1.9 Allowed Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.233 1.397 . . . . 0.0 114.474 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 p -66.38 156.5 34.39 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.306 1.043 . . . . 0.0 112.626 170.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 174.77 -156.16 22.28 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.666 1.127 . . . . 0.0 112.642 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.96 -127.89 10.57 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 123.926 0.774 . . . . 0.0 113.646 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.87 3.74 0.06 OUTLIER Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.016 1.293 . . . . 0.0 115.244 -175.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -69.11 161.26 29.45 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.843 1.322 . . . . 0.0 110.681 171.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.9 mmt -53.77 -36.79 62.77 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -69.1 -23.92 64.07 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.853 -1.154 . . . . 0.0 113.525 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -76.55 -49.01 17.47 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.203 1.001 . . . . 0.0 111.366 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -66.87 -38.9 82.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.854 1.262 . . . . 0.0 111.977 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.01 -47.2 83.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.18 0.9 . . . . 0.0 111.428 174.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -68.81 -41.7 78.29 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.218 -0.926 . . . . 0.0 113.011 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.38 -49.68 72.89 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.597 0.635 . . . . 0.0 111.662 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.5 tp -75.7 -34.68 60.4 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.641 0.777 . . . . 0.0 112.837 -170.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.16 72.69 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.74 -43.86 95.22 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.399 1.08 . . . . 0.0 111.424 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -65.53 -41.75 92.74 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.46 -41.03 93.29 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.801 0.841 . . . . 0.0 112.303 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.9 m -61.72 -40.77 96.22 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.138 0.975 . . . . 0.0 111.808 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -68.14 -34.65 76.74 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.946 -1.096 . . . . 0.0 113.23 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.0 mt -59.08 -48.46 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.453 -0.779 . . . . 0.0 110.074 170.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -62.57 -40.3 96.42 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.221 1.008 . . . . 0.0 112.552 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -59.08 -48.69 80.67 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.345 1.058 . . . . 0.0 112.084 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.83 -42.61 94.8 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.611 0.765 . . . . 0.0 111.98 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -61.6 -41.81 97.98 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.694 -0.67 . . . . 0.0 112.441 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.02 96.73 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.709 0.686 . . . . 0.0 112.146 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.15 93.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.145 0.578 . . . . 0.0 112.44 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -62.61 -47.4 83.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.829 1.252 . . . . 0.0 111.161 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -64.25 -36.47 84.19 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.123 0.969 . . . . 0.0 113.241 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.07 78.03 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.587 0.755 . . . . 0.0 112.908 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 pp -78.56 -37.1 43.52 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.737 0.699 . . . . 0.0 112.404 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.89 -40.75 95.59 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.133 -0.98 . . . . 0.0 112.611 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -68.76 -24.18 64.41 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.26 -17.19 61.36 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.531 1.133 . . . . 0.0 113.739 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -92.32 3.35 55.59 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.483 1.513 . . . . 0.0 114.67 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -131.29 41.44 3.33 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 126.036 1.734 . . . . 0.0 114.266 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.203 1.401 . . . . 0.0 112.999 173.081 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.934 -0.466 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -59.49 154.87 44.91 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.202 3.268 . . . . 0.0 114.302 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.16 -13.22 0.96 Allowed Glycine 0 CA--C 1.537 1.427 0 N-CA-C 115.454 0.941 . . . . 0.0 115.454 176.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 77.8 p -73.7 -16.91 61.18 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -72.91 159.09 34.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.257 1.823 . . . . 0.0 113.14 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -65.98 123.36 19.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.725 0.81 . . . . 0.0 110.66 169.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -125.04 40.86 3.65 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.897 1.679 . . . . 0.0 110.989 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 59.22 40.29 21.7 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.105 1.762 . . . . 0.0 112.537 -166.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.23 151.1 96.25 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.325 1.45 . . . . 0.0 112.693 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.34 159.69 52.75 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 123.51 2.807 . . . . 0.0 112.803 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.2 tt -57.32 -32.87 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.169 0.988 . . . . 0.0 113.452 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.5 -25.14 67.34 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.642 1.177 . . . . 0.0 112.769 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -80.71 -59.35 2.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.536 0.734 . . . . 0.0 111.408 170.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.53 -32.8 74.6 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.713 -1.242 . . . . 0.0 113.593 -171.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.0 t -69.85 -23.46 63.29 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.443 1.097 . . . . 0.0 112.896 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.19 -36.26 19.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.501 1.121 . . . . 0.0 112.802 169.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.09 -39.12 88.73 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.336 -0.853 . . . . 0.0 112.628 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.95 -35.37 79.9 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.365 0.984 . . . . 0.0 112.458 174.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -72.68 -40.79 65.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.061 0.945 . . . . 0.0 111.153 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.77 -39.46 94.32 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.383 1.473 . . . . 0.0 112.479 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.51 -33.57 76.21 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.612 0.765 . . . . 0.0 112.467 171.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 31.9 mtm -81.7 10.32 6.33 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.804 1.242 . . . . 0.0 113.972 170.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.54 11.18 83.45 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 125.178 1.371 . . . . 0.0 116.133 171.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -70.82 153.17 42.98 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.318 1.559 . . . . 0.0 112.225 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -75.5 -9.75 58.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.256 1.422 . . . . 0.0 114.149 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -176.32 -167.4 35.0 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.225 1.393 . . . . 0.0 113.454 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 173.73 -173.61 45.89 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.569 1.081 . . . . 0.0 113.391 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 179.1 178.84 48.54 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.939 1.257 . . . . 0.0 112.562 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 58.7 p -66.53 139.46 57.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.223 1.009 . . . . 0.0 113.499 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.4 171.59 45.96 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.376 0.988 . . . . 0.0 112.819 164.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -74.59 170.52 53.78 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.176 0.893 . . . . 0.0 114.096 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -84.59 -7.11 84.93 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 124.684 1.135 . . . . 0.0 115.633 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 43.2 m -68.14 149.59 49.41 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.853 1.327 . . . . 0.0 112.16 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 20.7 mmt -57.35 -35.56 70.08 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.429 1.092 . . . . 0.0 113.426 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.03 -23.12 65.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -88.32 -47.59 8.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.722 1.209 . . . . 0.0 111.372 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 tt -61.35 -39.54 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.665 1.186 . . . . 0.0 112.282 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -61.93 -42.14 98.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.938 0.79 . . . . 0.0 112.336 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -63.83 -43.44 96.19 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.503 0.721 . . . . 0.0 112.073 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.39 -50.37 67.89 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.541 0.737 . . . . 0.0 111.751 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.0 tp -73.83 -27.97 61.37 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.566 0.746 . . . . 0.0 112.975 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.21 74.15 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.563 -0.71 . . . . 0.0 112.729 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -65.55 -43.01 91.21 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.051 1.341 . . . . 0.0 111.826 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 75.3 p -68.0 -38.02 82.13 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.352 0.661 . . . . 0.0 112.579 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.11 -42.19 96.96 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.941 0.897 . . . . 0.0 111.965 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 77.0 m -59.36 -37.32 77.6 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.563 0.745 . . . . 0.0 111.754 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -70.1 -29.24 66.15 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.094 -1.004 . . . . 0.0 113.302 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.38 -48.23 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.447 1.021 . . . . 0.0 109.749 171.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.05 -41.65 97.01 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.085 0.954 . . . . 0.0 111.967 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.87 86.97 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.61 1.564 . . . . 0.0 112.354 172.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -45.93 91.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.451 0.7 . . . . 0.0 111.765 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -61.16 -43.68 98.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.468 0.707 . . . . 0.0 112.058 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.62 -43.91 97.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.549 0.74 . . . . 0.0 112.382 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.1 88.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.598 0.759 . . . . 0.0 112.668 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -62.81 -42.69 99.82 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 111.225 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.29 -46.11 90.22 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.687 -1.258 . . . . 0.0 112.031 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -63.42 -31.09 72.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.246 1.018 . . . . 0.0 113.733 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.0 pp -85.81 -31.89 22.06 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 172.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.29 -25.63 67.72 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.258 1.39 . . . . 0.0 113.193 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -78.13 -5.45 51.65 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.861 -1.15 . . . . 0.0 113.929 171.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -122.3 -37.75 2.77 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.524 1.529 . . . . 0.0 114.138 -173.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -66.04 -13.55 60.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.548 1.539 . . . . 0.0 114.48 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -73.04 -7.94 53.48 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 127.085 2.154 . . . . 0.0 115.35 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 126.061 1.744 . . . . 0.0 113.409 176.187 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.483 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -73.21 -22.02 19.55 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 124.003 3.135 . . . . 0.0 114.191 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.76 175.4 53.55 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.061 1.315 . . . . 0.0 114.56 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -151.25 163.82 38.01 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.445 1.498 . . . . 0.0 111.569 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -65.52 143.1 57.87 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.198 0.999 . . . . 0.0 113.072 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.97 171.23 14.46 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.49 0.716 . . . . 0.0 111.623 162.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 64.68 144.54 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.193 2.197 . . . . 0.0 114.403 -170.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.39 22.21 3.67 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.704 1.602 . . . . 0.0 114.4 -172.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.31 153.29 90.07 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.525 1.53 . . . . 0.0 112.236 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.76 159.08 50.3 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.089 2.526 . . . . 0.0 113.931 -170.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 tp -60.29 -31.39 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.995 1.318 . . . . 0.0 113.965 -168.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -72.34 -29.74 64.09 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.322 -0.861 . . . . 0.0 113.054 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -72.12 -52.21 17.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.83 -1.169 . . . . 0.0 111.703 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.07 -31.53 72.46 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.417 -0.802 . . . . 0.0 112.503 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -62.6 -50.03 72.9 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.151 0.98 . . . . 0.0 111.819 169.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.07 72.27 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.724 -1.235 . . . . 0.0 112.545 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.33 -52.89 50.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.249 1.02 . . . . 0.0 111.782 173.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.88 -32.19 73.28 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.701 1.591 . . . . 0.0 112.772 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -64.17 -51.92 61.49 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.912 0.885 . . . . 0.0 111.351 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.93 -26.98 63.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.029 0.831 . . . . 0.0 113.143 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -68.5 -31.47 70.76 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.523 1.056 . . . . 0.0 112.486 170.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 73.4 mtm -78.72 -5.26 52.7 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 166.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.09 15.58 74.48 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.87 1.224 . . . . 0.0 114.563 -174.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -93.19 132.78 37.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.891 1.676 . . . . 0.0 112.325 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -83.59 -28.76 28.3 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.674 0.79 . . . . 0.0 112.307 168.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.19 -174.05 42.64 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.289 1.423 . . . . 0.0 114.654 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.69 -165.77 54.43 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.633 1.111 . . . . 0.0 114.6 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.05 30.0 66.05 Favored Glycine 0 CA--C 1.536 1.398 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 m -55.5 132.03 47.54 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.369 1.468 . . . . 0.0 113.487 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.4 -0.03 85.87 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.589 1.09 . . . . 0.0 115.67 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.96 -26.61 73.24 Favored Glycine 0 CA--C 1.537 1.432 0 CA-C-N 118.794 1.297 . . . . 0.0 114.935 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.24 19.08 65.89 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.348 0.975 . . . . 0.0 115.18 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -68.63 159.2 32.49 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.679 1.239 . . . . 0.0 112.324 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.1 tpt -61.85 -24.26 66.79 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.083 0.953 . . . . 0.0 112.789 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -82.36 -23.1 35.19 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.89 0.876 . . . . 0.0 113.134 172.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -74.08 -44.56 53.62 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.884 -1.135 . . . . 0.0 111.422 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 tt -60.64 -40.48 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.869 0.867 . . . . 0.0 112.073 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -55.97 -53.7 53.73 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.99 0.814 . . . . 0.0 111.52 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -64.76 -47.83 76.76 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.496 0.718 . . . . 0.0 112.179 -177.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 tp -68.24 -38.7 82.09 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.808 -0.557 . . . . 0.0 112.474 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.3 tp -73.45 -33.96 65.16 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.748 0.819 . . . . 0.0 112.3 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.6 88.39 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.39 -0.819 . . . . 0.0 112.893 172.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.05 -45.51 93.23 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.479 1.036 . . . . 0.0 111.854 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.1 t -58.0 -46.32 85.43 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 173.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.13 -42.1 98.91 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.145 -0.972 . . . . 0.0 112.916 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -61.8 -37.48 84.54 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.078 -1.014 . . . . 0.0 111.73 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.67 -35.13 79.42 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.229 -0.919 . . . . 0.0 113.158 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.6 mt -58.52 -50.83 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.781 0.833 . . . . 0.0 109.632 172.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -64.24 -38.47 91.16 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.386 1.074 . . . . 0.0 112.636 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -59.79 -44.46 93.94 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.428 1.091 . . . . 0.0 112.14 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.69 -50.04 64.16 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.067 0.947 . . . . 0.0 111.751 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.19 -38.07 89.72 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.47 96.79 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.379 0.672 . . . . 0.0 111.903 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.96 67.79 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.612 0.765 . . . . 0.0 112.18 175.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.61 -48.53 81.29 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.028 1.331 . . . . 0.0 111.674 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.88 -36.98 86.12 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.974 0.91 . . . . 0.0 113.325 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.31 -44.61 67.95 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 pp -74.98 -30.79 61.27 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -61.59 -57.52 11.73 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.618 1.099 . . . . 0.0 111.944 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -63.56 -23.72 67.51 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.16 -27.67 42.72 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -117.18 -3.46 11.5 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -170.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -73.73 -25.21 60.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.397 2.279 . . . . 0.0 114.033 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 . . . . . 0 C--O 1.255 1.348 0 C-N-CA 127.027 2.131 . . . . 0.0 112.786 175.247 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 CA-C-O 119.361 -0.688 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -60.64 150.03 84.22 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 124.372 3.381 . . . . 0.0 114.042 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.51 147.14 41.69 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.081 0.848 . . . . 0.0 112.659 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 24.9 t -118.29 143.45 46.58 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.212 1.405 . . . . 0.0 111.361 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -71.19 138.96 49.96 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.311 1.044 . . . . 0.0 112.406 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -75.59 139.84 42.31 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.535 0.734 . . . . 0.0 112.305 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.53 145.17 17.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.84 1.256 . . . . 0.0 112.047 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.07 19.32 2.03 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.106 2.162 . . . . 0.0 116.356 171.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.66 153.3 95.27 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.807 1.243 . . . . 0.0 112.177 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -69.04 162.73 40.5 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.203 2.602 . . . . 0.0 113.035 -175.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.4 tt -60.74 -30.79 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -62.71 -35.72 80.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.328 0.651 . . . . 0.0 112.057 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -74.72 -51.26 14.72 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.687 0.795 . . . . 0.0 111.939 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.27 -33.04 74.48 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.225 -0.922 . . . . 0.0 112.794 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.0 t -61.68 -46.6 89.04 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.669 0.788 . . . . 0.0 111.866 167.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.67 81.28 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.767 -1.208 . . . . 0.0 112.951 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.2 -50.39 66.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.007 0.923 . . . . 0.0 111.558 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.9 -30.46 70.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.195 1.362 . . . . 0.0 112.547 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -67.8 -45.87 73.55 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.23 1.012 . . . . 0.0 112.068 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -66.8 -33.17 75.03 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.751 0.82 . . . . 0.0 112.847 175.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -61.63 -40.57 95.34 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.201 0.91 . . . . 0.0 112.452 170.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 72.3 mtm -85.33 1.39 48.66 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.632 1.173 . . . . 0.0 114.16 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.85 31.32 67.31 Favored Glycine 0 CA--C 1.541 1.718 0 O-C-N 121.027 -1.045 . . . . 0.0 114.367 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -60.28 154.28 20.4 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.973 1.309 . . . . 0.0 112.991 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -74.72 -2.73 27.69 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.799 1.639 . . . . 0.0 113.93 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -164.2 -167.42 24.69 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.758 1.647 . . . . 0.0 112.742 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -162.39 170.72 38.07 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.515 1.055 . . . . 0.0 113.349 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.6 11.04 83.06 Favored Glycine 0 CA--C 1.539 1.535 0 N-CA-C 115.236 0.855 . . . . 0.0 115.236 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 33.0 t -67.41 131.68 46.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.524 1.162 . . . . 0.0 111.466 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.18 -179.57 50.84 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.158 1.361 . . . . 0.0 115.902 -172.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 179.38 167.57 36.98 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.889 1.709 . . . . 0.0 112.236 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -170.28 -17.07 0.02 OUTLIER Glycine 0 CA--C 1.536 1.345 0 N-CA-C 116.614 1.405 . . . . 0.0 116.614 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 31.2 t -78.55 158.65 28.48 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.463 1.632 . . . . 0.0 111.338 170.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -38.74 71.13 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.291 1.036 . . . . 0.0 112.623 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.07 -24.81 66.79 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -74.32 -52.73 11.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.543 0.737 . . . . 0.0 110.442 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.7 tt -63.83 -40.24 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.99 0.916 . . . . 0.0 112.085 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -56.83 -48.49 77.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.571 1.078 . . . . 0.0 111.626 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -67.36 -48.46 67.41 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.981 0.513 . . . . 0.0 111.743 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.47 -42.33 95.98 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.961 0.904 . . . . 0.0 112.742 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 29.0 tp -74.49 -31.75 62.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.622 1.169 . . . . 0.0 112.596 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.07 -32.46 69.13 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.468 -0.77 . . . . 0.0 112.823 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.94 -48.34 74.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.286 1.034 . . . . 0.0 112.342 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 69.1 p -64.12 -36.44 84.05 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.675 0.79 . . . . 0.0 112.739 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.3 -40.27 95.76 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.033 -1.042 . . . . 0.0 112.628 171.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 95.1 m -60.36 -37.56 81.09 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.281 -0.887 . . . . 0.0 111.961 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -68.44 -34.99 76.96 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.278 -0.889 . . . . 0.0 113.085 175.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.12 -52.17 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.558 1.072 . . . . 0.0 109.482 170.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -59.28 -39.52 83.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.321 0.648 . . . . 0.0 112.278 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -59.81 -52.76 64.06 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.217 1.007 . . . . 0.0 112.098 174.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.22 -35.12 66.26 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.478 0.711 . . . . 0.0 112.903 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -63.57 -44.0 95.36 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.924 0.784 . . . . 0.0 111.471 173.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.79 90.21 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.8 82.3 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.423 0.689 . . . . 0.0 112.389 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.1 -36.23 82.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.238 0.615 . . . . 0.0 111.96 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -65.07 -40.61 94.92 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.08 -1.012 . . . . 0.0 112.585 173.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.68 77.5 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.83 -26.53 49.53 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.62 -39.23 93.15 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.206 -0.934 . . . . 0.0 113.185 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -75.33 -22.6 57.5 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -74.78 -48.5 25.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.652 0.781 . . . . 0.0 111.73 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -89.53 42.08 1.07 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.467 1.907 . . . . 0.0 113.007 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -78.65 3.12 17.25 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -172.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 . . . . . 0 N--CA 1.484 1.231 0 C-N-CA 126.204 1.801 . . . . 0.0 114.477 -175.085 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -62.59 126.9 19.33 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.633 2.888 . . . . 0.0 110.756 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.69 -7.23 0.13 Allowed Glycine 0 CA--C 1.54 1.628 0 N-CA-C 116.247 1.259 . . . . 0.0 116.247 -174.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -72.88 -5.2 36.75 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.123 1.461 . . . . 0.0 114.657 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -63.89 152.26 40.26 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.311 1.845 . . . . 0.0 113.471 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -70.07 126.97 31.23 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.958 1.303 . . . . 0.0 111.733 172.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.11 133.19 10.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.032 1.333 . . . . 0.0 111.277 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.22 27.81 3.74 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.72 149.26 96.15 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 124.208 1.003 . . . . 0.0 112.502 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -66.2 154.84 72.59 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.329 2.686 . . . . 0.0 112.529 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.5 tt -61.26 -30.17 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -169.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -63.61 -28.62 70.05 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -76.13 -56.59 4.51 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.543 -0.723 . . . . 0.0 111.807 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.13 -34.19 75.89 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.401 -0.812 . . . . 0.0 112.926 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 m -71.83 -25.08 61.83 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.839 0.856 . . . . 0.0 113.242 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.13 -29.11 23.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.262 1.025 . . . . 0.0 112.8 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mp -61.48 -43.63 98.52 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.115 0.966 . . . . 0.0 112.188 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.06 -37.03 85.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.074 0.852 . . . . 0.0 112.788 176.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -72.86 -39.41 66.51 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.851 0.861 . . . . 0.0 112.666 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -76.85 -23.8 52.68 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.937 0.79 . . . . 0.0 112.981 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -68.94 -29.2 67.4 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 121.013 -1.055 . . . . 0.0 112.784 167.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.7 mtm -82.59 -10.52 58.93 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.025 1.33 . . . . 0.0 114.207 167.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.08 27.57 68.24 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.933 1.254 . . . . 0.0 114.873 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -70.34 -27.13 64.11 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -177.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 52.71 35.56 18.77 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.942 2.097 . . . . 0.0 114.663 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.83 -158.83 19.04 Favored Glycine 0 CA--C 1.533 1.164 0 O-C-N 120.913 -1.117 . . . . 0.0 113.667 -177.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.0 -168.08 22.1 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.954 1.74 . . . . 0.0 113.822 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.28 -163.94 54.87 Favored Glycine 0 CA--C 1.544 1.848 0 C-N-CA 124.625 1.107 . . . . 0.0 114.294 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.6 m -71.21 129.67 39.5 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 119.127 -2.396 . . . . 0.0 112.744 -0.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.36 -164.03 20.65 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.794 1.188 . . . . 0.0 114.948 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 168.43 135.77 1.94 Allowed Glycine 0 CA--C 1.534 1.227 0 C-N-CA 123.999 0.809 . . . . 0.0 113.005 173.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.26 -6.15 0.05 OUTLIER Glycine 0 CA--C 1.538 1.524 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 176.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.1 p -74.05 170.36 15.61 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.745 1.773 . . . . 0.0 112.843 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 9.0 tpt -65.42 -16.1 63.28 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -81.02 -43.62 19.31 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.917 0.887 . . . . 0.0 112.065 170.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -65.9 -38.55 89.02 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.849 0.86 . . . . 0.0 112.939 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 tt -59.92 -40.02 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.844 0.858 . . . . 0.0 112.138 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -64.84 -43.24 93.7 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.557 0.617 . . . . 0.0 111.458 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -64.99 -49.87 68.58 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.392 0.677 . . . . 0.0 112.097 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.67 -44.16 91.26 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.765 0.826 . . . . 0.0 111.939 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 tp -72.45 -34.4 67.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.21 83.02 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.499 0.719 . . . . 0.0 112.222 170.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -57.05 -45.27 83.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.537 1.135 . . . . 0.0 112.065 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 t -61.93 -42.48 99.15 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.536 0.734 . . . . 0.0 112.634 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.22 -42.51 98.72 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.399 -0.813 . . . . 0.0 112.959 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 95.4 m -58.17 -39.58 79.23 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 118.899 0.772 . . . . 0.0 113.033 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -68.62 -32.2 71.9 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.31 -48.56 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.921 0.889 . . . . 0.0 110.319 174.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -65.7 -37.67 87.1 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.6 1.16 . . . . 0.0 112.594 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.4 ttp85 -59.89 -46.99 87.59 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.195 0.998 . . . . 0.0 111.982 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.67 -43.99 87.62 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.39 0.676 . . . . 0.0 112.263 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -64.97 -37.71 88.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.642 0.655 . . . . 0.0 112.464 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.48 95.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.347 0.659 . . . . 0.0 111.596 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.78 94.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.61 0.764 . . . . 0.0 112.993 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -64.98 -44.87 87.88 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.196 0.998 . . . . 0.0 111.384 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -65.38 -35.02 79.68 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.726 -1.234 . . . . 0.0 112.709 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.1 78.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.258 1.023 . . . . 0.0 113.034 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 pp -72.77 -32.74 65.83 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.205 0.911 . . . . 0.0 112.208 175.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.58 -50.35 67.61 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.228 0.922 . . . . 0.0 112.12 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.93 -28.26 68.15 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.465 -0.772 . . . . 0.0 112.94 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.27 -19.0 62.4 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 175.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -113.01 0.23 14.96 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.754 1.622 . . . . 0.0 114.2 -177.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 53.6 tpt85 -72.58 -17.38 61.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.714 2.006 . . . . 0.0 115.038 -175.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 127.044 2.138 . . . . 0.0 112.578 -175.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.3 157.01 63.65 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.994 3.129 . . . . 0.0 112.891 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.68 167.15 54.85 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.502 1.048 . . . . 0.0 114.36 175.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.8 t -149.28 -178.38 6.37 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.43 1.892 . . . . 0.0 110.757 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -56.11 108.8 0.5 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.393 1.477 . . . . 0.0 112.262 -175.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 53.36 24.64 3.99 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.436 1.894 . . . . 0.0 115.227 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -135.88 119.85 17.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.373 1.069 . . . . 0.0 111.616 -169.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.8 37.71 28.97 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.017 1.327 . . . . 0.0 113.032 -174.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pp -61.08 152.53 70.92 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 126.259 1.824 . . . . 0.0 112.492 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -62.49 158.13 42.73 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.658 2.905 . . . . 0.0 113.584 -173.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.3 tt -63.02 -32.2 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -172.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -70.54 -23.45 62.63 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.262 -0.899 . . . . 0.0 112.64 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -76.91 -50.35 13.5 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.273 -0.892 . . . . 0.0 111.732 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.89 -30.3 70.87 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.431 -0.793 . . . . 0.0 112.216 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.3 t -63.31 -42.86 99.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.979 1.311 . . . . 0.0 112.429 167.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.29 -33.51 76.15 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.321 -1.487 . . . . 0.0 113.413 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.96 -45.19 82.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.728 1.211 . . . . 0.0 112.157 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.08 -34.29 71.03 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.1 1.318 . . . . 0.0 112.439 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -64.9 -47.02 79.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.32 0.648 . . . . 0.0 112.634 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.42 -27.32 65.17 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -64.18 -36.92 85.62 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.958 0.799 . . . . 0.0 112.419 170.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 33.9 mtt -78.12 -5.04 50.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.803 1.241 . . . . 0.0 113.242 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 84.11 11.92 77.62 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.838 1.209 . . . . 0.0 114.946 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -70.35 152.78 43.74 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.02 1.41 . . . . 0.0 111.268 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -69.82 -16.26 63.24 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -166.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 177.58 -165.16 34.71 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.319 0.963 . . . . 0.0 114.744 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.41 170.57 47.98 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.837 1.208 . . . . 0.0 115.044 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -168.53 164.87 38.41 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 126.054 1.788 . . . . 0.0 111.827 176.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 46.7 t -59.46 127.8 33.89 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.157 0.583 . . . . 0.0 112.506 -173.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.21 -16.83 80.21 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.016 0.817 . . . . 0.0 114.626 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.66 168.69 51.57 Favored Glycine 0 CA--C 1.54 1.634 0 CA-C-N 118.242 1.021 . . . . 0.0 114.71 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -169.81 -16.99 0.02 OUTLIER Glycine 0 CA--C 1.54 1.633 0 O-C-N 119.351 -2.264 . . . . 0.0 116.026 -1.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 37.0 t -74.61 158.86 32.95 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.042 1.421 . . . . 0.0 111.024 166.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.44 -35.2 69.79 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.989 -1.069 . . . . 0.0 112.873 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -67.22 -24.23 65.81 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -77.1 -49.87 14.32 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.117 -0.99 . . . . 0.0 111.409 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 13.2 tt -64.63 -40.58 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.717 0.807 . . . . 0.0 112.021 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.29 -39.54 87.25 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.403 1.001 . . . . 0.0 111.798 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -74.24 -49.5 23.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.832 0.742 . . . . 0.0 112.349 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.99 -40.39 87.35 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.08 0.952 . . . . 0.0 113.124 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.53 -28.12 60.83 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.642 0.777 . . . . 0.0 112.59 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.27 -31.74 64.26 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 121.209 -0.932 . . . . 0.0 113.057 169.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -62.8 -49.62 74.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.079 1.352 . . . . 0.0 111.564 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 77.0 p -65.67 -37.39 86.38 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.678 0.791 . . . . 0.0 112.873 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.55 -39.68 95.03 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.135 0.88 . . . . 0.0 112.615 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 99.9 m -64.19 -39.96 95.1 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.636 -1.29 . . . . 0.0 111.632 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -66.6 -28.93 68.89 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.519 1.128 . . . . 0.0 112.495 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.62 -60.32 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 120.26 1.391 . . . . 0.0 109.559 164.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -57.15 -42.41 80.97 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.641 0.776 . . . . 0.0 112.671 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -68.32 -32.69 72.98 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.78 -39.72 56.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.086 0.955 . . . . 0.0 112.174 174.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -59.48 -43.5 93.26 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.587 0.63 . . . . 0.0 111.256 171.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.63 90.5 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.17 0.988 . . . . 0.0 112.696 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.71 98.45 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.364 0.983 . . . . 0.0 112.921 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.69 -40.44 97.12 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.28 1.032 . . . . 0.0 111.467 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -73.43 -30.6 63.32 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 121.16 -0.963 . . . . 0.0 113.351 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -72.3 -42.55 65.34 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.551 1.14 . . . . 0.0 113.14 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.11 -33.91 75.4 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.365 -0.834 . . . . 0.0 112.324 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.31 -44.63 87.27 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.591 0.756 . . . . 0.0 112.069 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -76.77 -26.67 54.78 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.58 74.38 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.429 -0.795 . . . . 0.0 113.001 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.4 -9.5 58.9 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -175.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -103.08 -2.5 27.37 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.939 1.696 . . . . 0.0 115.299 174.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 125.306 1.442 . . . . 0.0 113.774 -179.093 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.94 143.46 99.58 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.173 3.249 . . . . 0.0 113.686 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 178.67 22.91 0.03 OUTLIER Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.026 0.822 . . . . 0.0 115.093 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m -64.93 147.06 54.09 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.838 1.255 . . . . 0.0 113.756 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -69.33 153.84 42.97 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 124.762 1.225 . . . . 0.0 112.367 174.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.57 109.6 5.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.535 0.734 . . . . 0.0 110.359 172.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.97 140.52 17.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.681 1.192 . . . . 0.0 111.86 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.37 14.78 0.84 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 117.136 2.272 . . . . 0.0 117.136 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.95 153.06 95.85 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 124.76 1.224 . . . . 0.0 111.299 168.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -68.05 159.91 50.96 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.849 2.366 . . . . 0.0 113.198 -170.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 tt -65.31 -31.54 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -71.64 -26.4 62.54 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.418 -0.801 . . . . 0.0 112.528 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -71.99 -52.01 19.11 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.778 -1.202 . . . . 0.0 111.071 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.05 -33.02 74.86 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.016 0.826 . . . . 0.0 112.589 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -66.99 -42.43 85.06 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.74 0.816 . . . . 0.0 112.4 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.67 81.89 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.513 -1.367 . . . . 0.0 113.001 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.01 -51.71 60.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.886 0.875 . . . . 0.0 111.709 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.01 -34.05 76.72 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.324 1.42 . . . . 0.0 112.465 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -72.53 -39.62 67.39 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.565 -0.709 . . . . 0.0 112.202 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -69.1 -34.51 75.2 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.633 0.773 . . . . 0.0 112.801 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -63.05 -33.65 75.89 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.024 -1.047 . . . . 0.0 112.304 170.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.7 mtm -81.46 -0.02 39.81 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.101 1.361 . . . . 0.0 114.457 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.86 12.68 80.94 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 115.83 1.092 . . . . 0.0 115.83 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -67.02 146.11 54.69 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.352 1.576 . . . . 0.0 111.422 170.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 -79.6 -0.54 34.1 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.549 1.14 . . . . 0.0 114.071 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.4 -147.37 12.0 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.058 1.314 . . . . 0.0 113.102 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.02 14.36 77.34 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.345 0.974 . . . . 0.0 115.306 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.32 -1.72 51.78 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 118.586 1.193 . . . . 0.0 115.305 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.2 p -73.75 -14.01 61.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.321 1.448 . . . . 0.0 113.925 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.13 150.59 50.38 Favored Glycine 0 CA--C 1.538 1.482 0 O-C-N 121.36 -0.838 . . . . 0.0 113.369 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.21 171.5 18.62 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.064 1.316 . . . . 0.0 113.804 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.68 -42.0 2.2 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.237 1.399 . . . . 0.0 115.477 174.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -66.96 145.37 55.5 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.485 1.143 . . . . 0.0 111.209 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.28 -29.62 68.93 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 172.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -74.43 -33.56 62.99 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.116 -0.99 . . . . 0.0 112.382 173.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -73.73 -45.44 52.01 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.588 0.755 . . . . 0.0 112.354 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -62.33 -42.0 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.64 -0.662 . . . . 0.0 112.242 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -60.91 -44.89 96.54 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.784 0.72 . . . . 0.0 110.877 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -67.88 -51.2 50.85 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.06 -45.02 90.63 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.19 -0.944 . . . . 0.0 112.148 -176.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -73.49 -25.64 60.54 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.43 50.07 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 168.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -66.49 -45.68 78.8 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.761 -1.212 . . . . 0.0 111.776 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 p -64.56 -36.01 82.83 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.76 -41.79 98.15 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.352 0.978 . . . . 0.0 111.905 171.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.1 m -62.29 -37.3 85.01 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.346 -0.846 . . . . 0.0 111.956 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -66.64 -35.52 80.37 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.093 -1.004 . . . . 0.0 113.358 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.7 mt -60.18 -48.12 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.958 0.799 . . . . 0.0 109.988 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -60.81 -41.33 95.48 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.928 0.891 . . . . 0.0 112.209 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -63.51 -47.29 82.31 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.426 1.09 . . . . 0.0 112.311 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.18 -37.31 80.83 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.455 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.62 -46.12 91.47 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.324 0.965 . . . . 0.0 112.28 170.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.21 96.96 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.277 0.631 . . . . 0.0 112.674 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.07 94.09 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.8 0.84 . . . . 0.0 112.611 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -63.67 -42.98 97.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.543 0.737 . . . . 0.0 111.142 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -64.58 -32.61 74.33 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.664 -1.273 . . . . 0.0 113.226 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.45 -40.06 73.94 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.99 -25.66 40.21 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.01 -50.12 75.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.092 0.957 . . . . 0.0 111.896 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -76.04 -20.22 57.97 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.29 -45.38 60.29 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.443 -0.786 . . . . 0.0 111.667 172.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.18 57.79 2.06 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.572 1.549 . . . . 0.0 110.74 173.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -62.7 -29.75 70.89 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.07 1.348 . . . . 0.0 114.566 -174.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 127.797 2.439 . . . . 0.0 112.196 -170.891 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 111.977 -0.449 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -68.96 157.81 60.41 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 124.125 3.217 . . . . 0.0 112.973 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -73.16 176.9 43.51 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.492 1.044 . . . . 0.0 114.049 173.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 80.1 p -71.95 -21.32 61.61 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -77.79 143.09 38.21 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.638 1.575 . . . . 0.0 112.388 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -77.33 146.92 36.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.655 0.782 . . . . 0.0 111.334 169.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -136.71 -16.42 1.52 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.35 -0.38 49.54 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.538 1.135 . . . . 0.0 114.011 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.74 154.69 12.73 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.918 1.687 . . . . 0.0 112.808 171.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -64.83 158.13 52.61 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 122.969 2.446 . . . . 0.0 113.231 -174.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 15.2 tt -67.36 -27.91 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -167.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -69.6 -27.88 65.47 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.123 -0.986 . . . . 0.0 112.549 172.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -73.08 -49.62 27.51 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.099 0.96 . . . . 0.0 112.106 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.81 -31.99 72.98 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.082 -1.011 . . . . 0.0 112.766 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.1 t -64.68 -38.59 91.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.119 0.968 . . . . 0.0 112.631 169.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.99 83.64 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.706 -1.246 . . . . 0.0 112.482 171.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.13 -45.94 91.33 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.162 0.985 . . . . 0.0 112.872 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.12 -35.45 80.53 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.764 1.166 . . . . 0.0 111.997 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -68.43 -40.08 81.3 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.466 1.106 . . . . 0.0 111.273 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -67.79 -33.58 75.1 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.186 1.394 . . . . 0.0 112.958 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -64.06 -26.66 68.65 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.82 -1.175 . . . . 0.0 112.788 169.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 59.9 mtm -94.56 15.32 18.26 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.928 1.691 . . . . 0.0 113.657 170.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.42 4.99 90.31 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 126.088 1.804 . . . . 0.0 116.662 170.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -80.01 166.8 21.21 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 118.992 1.396 . . . . 0.0 112.56 177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -76.02 3.21 10.81 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.534 1.534 . . . . 0.0 114.502 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.96 178.67 43.33 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.006 1.289 . . . . 0.0 113.955 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.26 159.74 51.86 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.574 1.083 . . . . 0.0 114.331 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -160.76 -0.95 0.07 OUTLIER Glycine 0 CA--C 1.538 1.508 0 N-CA-C 116.461 1.344 . . . . 0.0 116.461 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 33.7 t -157.95 146.08 18.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.858 1.329 . . . . 0.0 111.224 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 62.97 -149.39 49.66 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.321 0.963 . . . . 0.0 113.692 -176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 91.13 34.05 7.81 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.767 1.175 . . . . 0.0 114.194 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.12 -11.44 0.05 OUTLIER Glycine 0 CA--C 1.538 1.53 0 N-CA-C 116.546 1.378 . . . . 0.0 116.546 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 64.6 m -77.05 160.75 28.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.447 1.624 . . . . 0.0 112.102 173.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 10.0 tpt -64.81 -19.47 65.86 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.072 0.949 . . . . 0.0 113.549 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -78.52 -34.92 46.97 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.542 1.137 . . . . 0.0 112.698 168.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -70.44 -38.48 74.54 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.281 -0.887 . . . . 0.0 112.538 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 16.7 tt -60.11 -41.42 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 123.984 0.914 . . . . 0.0 111.827 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -61.31 -46.11 91.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.912 0.778 . . . . 0.0 111.15 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -65.06 -52.32 56.44 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.52 0.728 . . . . 0.0 112.67 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.73 -45.66 85.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.809 0.844 . . . . 0.0 112.06 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.4 tp -70.61 -32.92 70.44 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.113 0.565 . . . . 0.0 112.213 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.39 75.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.747 0.819 . . . . 0.0 113.05 169.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -65.49 -44.06 88.24 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.179 0.9 . . . . 0.0 111.687 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 66.0 m -62.22 -42.41 99.28 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 172.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.17 -42.69 95.52 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.763 0.825 . . . . 0.0 112.138 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 97.5 m -60.83 -40.77 94.03 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.417 -0.802 . . . . 0.0 111.85 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -69.49 -35.91 76.01 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.472 -0.768 . . . . 0.0 113.04 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.55 -51.68 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.295 0.952 . . . . 0.0 110.078 170.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -60.94 -40.38 93.04 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.85 0.86 . . . . 0.0 112.436 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 45.9 ttm180 -60.31 -47.72 84.83 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.564 1.146 . . . . 0.0 112.328 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.9 -39.66 79.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -61.1 -43.59 98.65 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.823 0.738 . . . . 0.0 111.999 173.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.94 99.18 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.722 0.809 . . . . 0.0 112.402 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.26 89.09 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.077 0.551 . . . . 0.0 112.462 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -62.07 -46.1 90.61 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.676 1.19 . . . . 0.0 111.067 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.32 -40.59 96.2 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.897 -1.127 . . . . 0.0 112.615 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.41 89.91 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.949 0.899 . . . . 0.0 113.14 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.5 pp -77.88 -33.54 52.01 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.944 0.793 . . . . 0.0 112.85 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.26 -39.48 83.0 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.666 1.121 . . . . 0.0 113.342 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -75.54 -16.94 60.21 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -95.09 -44.5 7.63 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.697 1.199 . . . . 0.0 113.428 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -78.26 -9.97 59.45 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.337 1.855 . . . . 0.0 114.73 -165.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -7.42 56.87 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.666 1.987 . . . . 0.0 115.398 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.718 1.607 . . . . 0.0 113.106 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.93 161.22 45.03 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.95 3.1 . . . . 0.0 113.174 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.21 -16.58 0.24 Allowed Glycine 0 CA--C 1.535 1.338 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.2 p -153.39 165.47 35.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.328 1.451 . . . . 0.0 111.742 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -130.08 149.05 51.97 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.141 1.376 . . . . 0.0 112.156 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -77.43 155.95 31.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.38 1.072 . . . . 0.0 112.738 171.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.82 156.81 42.01 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.771 1.629 . . . . 0.0 110.867 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.59 16.17 3.23 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.922 2.089 . . . . 0.0 115.793 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 161.1 40.14 Favored Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 126.032 1.733 . . . . 0.0 111.96 165.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.02 160.29 34.64 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.523 2.815 . . . . 0.0 113.959 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.1 -34.46 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.858 1.263 . . . . 0.0 113.597 -167.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -69.35 -30.3 68.29 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.471 0.708 . . . . 0.0 112.738 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -70.2 -56.2 7.4 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.159 0.89 . . . . 0.0 111.721 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.55 -32.66 74.37 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.725 -1.234 . . . . 0.0 113.033 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -67.89 -41.29 82.96 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.396 0.678 . . . . 0.0 112.542 171.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.0 86.17 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.35 -1.469 . . . . 0.0 112.428 173.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -63.32 -51.73 64.81 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.103 0.961 . . . . 0.0 111.593 175.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.26 -36.84 85.41 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.884 1.22 . . . . 0.0 112.255 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -67.56 -46.26 73.22 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 118.519 -0.753 . . . . 0.0 111.74 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.56 -25.39 60.36 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.539 1.063 . . . . 0.0 113.323 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -65.48 -20.35 66.32 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 121.197 -0.939 . . . . 0.0 113.346 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 mtm -100.52 8.52 43.45 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.185 1.794 . . . . 0.0 113.544 168.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.93 0.54 75.91 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.594 1.569 . . . . 0.0 115.626 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -84.24 51.12 2.0 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.036 1.735 . . . . 0.0 112.155 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -63.82 -14.33 52.07 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.189 1.396 . . . . 0.0 113.72 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.32 -9.42 60.95 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.597 1.094 . . . . 0.0 114.917 170.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.23 -147.43 37.67 Favored Glycine 0 CA--C 1.534 1.277 0 CA-C-N 118.665 1.233 . . . . 0.0 114.21 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.54 175.51 43.48 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 124.961 1.267 . . . . 0.0 113.85 -171.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 m 55.71 29.61 14.08 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.69 166.91 38.59 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.413 1.006 . . . . 0.0 113.972 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.14 164.32 47.29 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.743 1.163 . . . . 0.0 114.88 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.34 -115.59 0.59 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 123.71 0.672 . . . . 0.0 112.878 -173.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -66.62 170.46 6.28 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.929 1.291 . . . . 0.0 112.069 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.3 mmt -56.78 -35.59 68.88 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.375 -1.453 . . . . 0.0 114.1 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -65.34 -35.09 79.92 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.974 -1.079 . . . . 0.0 112.645 172.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -72.9 -41.85 64.2 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.696 1.198 . . . . 0.0 112.277 -176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.12 -41.27 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.741 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -58.49 -53.32 59.67 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.819 1.191 . . . . 0.0 112.519 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.96 -35.79 82.3 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.76 -40.07 63.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.314 1.046 . . . . 0.0 112.29 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.6 tp -74.82 -26.98 60.09 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.268 1.027 . . . . 0.0 113.009 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.14 -33.25 73.15 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.343 -0.848 . . . . 0.0 112.817 167.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -61.92 -51.07 69.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.887 1.275 . . . . 0.0 111.919 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.6 p -66.11 -37.05 84.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.03 0.932 . . . . 0.0 113.054 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.57 -40.51 87.56 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.289 -0.882 . . . . 0.0 111.726 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.8 m -62.07 -39.34 92.11 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.434 -0.791 . . . . 0.0 111.842 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -68.15 -36.14 79.2 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.774 -1.204 . . . . 0.0 113.199 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.91 -45.59 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.319 0.648 . . . . 0.0 110.516 171.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -65.17 -40.78 94.75 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.867 0.867 . . . . 0.0 112.919 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -57.56 -47.69 81.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.823 0.849 . . . . 0.0 112.043 172.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.76 -46.96 87.35 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.682 0.793 . . . . 0.0 112.183 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -67.52 -34.56 77.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.455 0.702 . . . . 0.0 112.638 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.1 92.05 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.073 0.851 . . . . 0.0 112.042 171.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.79 91.32 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.009 0.924 . . . . 0.0 112.702 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.45 -43.09 91.5 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.663 1.185 . . . . 0.0 111.222 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -64.24 -38.66 91.82 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.921 -1.112 . . . . 0.0 112.623 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.02 -32.79 74.48 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.114 0.966 . . . . 0.0 113.598 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 pp -87.86 -36.53 17.15 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.53 0.732 . . . . 0.0 112.639 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.08 -33.98 75.43 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.752 1.615 . . . . 0.0 113.097 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -69.24 -16.99 63.72 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 173.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.1 -38.92 9.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.148 1.779 . . . . 0.0 112.9 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -71.87 -16.19 62.13 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.551 1.54 . . . . 0.0 114.729 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -81.81 11.94 4.45 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.071 1.748 . . . . 0.0 115.616 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.227 1.811 . . . . 0.0 113.408 177.853 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.375 0 N-CA-C 111.738 -0.545 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -65.65 -20.85 59.67 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.232 3.288 . . . . 0.0 115.733 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.23 -24.96 4.47 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.447 1.499 . . . . 0.0 114.655 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 30.2 m 52.45 41.24 30.75 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.137 1.775 . . . . 0.0 114.71 169.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -63.2 147.23 51.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.95 1.3 . . . . 0.0 113.825 -172.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -77.94 55.0 1.37 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.779 1.632 . . . . 0.0 112.527 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.45 -24.54 14.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.905 1.282 . . . . 0.0 114.231 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -90.48 1.85 56.27 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.0 156.34 13.53 Favored Pre-proline 0 CA--C 1.557 1.241 0 C-N-CA 125.062 1.345 . . . . 0.0 112.533 168.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -62.06 155.81 53.55 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.206 2.604 . . . . 0.0 112.791 -176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 14.8 tt -57.15 -32.64 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -169.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.53 -34.65 71.22 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.207 1.003 . . . . 0.0 112.859 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -77.93 -47.75 17.91 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.702 0.801 . . . . 0.0 112.324 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.59 -30.28 68.99 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.653 1.115 . . . . 0.0 112.356 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.5 t -64.77 -46.58 81.53 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.958 0.903 . . . . 0.0 111.698 168.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.42 87.09 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.099 -1.001 . . . . 0.0 111.804 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.1 -48.39 73.86 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.16 0.984 . . . . 0.0 112.283 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.1 -33.96 76.97 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.146 1.339 . . . . 0.0 112.261 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -73.49 -35.81 65.7 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.655 -0.653 . . . . 0.0 112.577 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -64.66 -38.65 91.72 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.194 1.398 . . . . 0.0 112.183 172.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.96 -35.54 77.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.729 0.812 . . . . 0.0 112.596 171.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 44.2 mtt -79.52 -7.38 58.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.823 1.249 . . . . 0.0 113.91 174.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.2 9.95 58.85 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.456 1.503 . . . . 0.0 116.041 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -69.6 159.1 34.02 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.266 1.533 . . . . 0.0 112.126 169.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -73.62 -13.65 61.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.44 -161.56 32.37 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.174 0.892 . . . . 0.0 113.718 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -160.55 -167.47 21.11 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.368 1.461 . . . . 0.0 113.727 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -170.02 -164.75 26.27 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.06 1.314 . . . . 0.0 112.645 -176.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 41.4 t -56.77 135.33 55.44 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.019 0.909 . . . . 0.0 113.166 -174.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -76.66 -7.57 85.85 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.303 0.954 . . . . 0.0 115.334 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.49 159.14 7.68 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.102 1.334 . . . . 0.0 115.243 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.98 -24.55 9.69 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 124.318 0.961 . . . . 0.0 115.446 -176.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.4 m -74.36 151.88 39.67 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 118.56 1.18 . . . . 0.0 112.182 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -37.2 75.87 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.498 0.719 . . . . 0.0 112.83 -176.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -66.54 -27.86 68.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.335 1.054 . . . . 0.0 112.932 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -74.5 -49.59 21.53 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.193 -0.942 . . . . 0.0 110.837 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 13.5 tt -67.01 -40.07 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.682 0.793 . . . . 0.0 112.05 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -57.3 -49.81 74.93 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.291 0.95 . . . . 0.0 112.069 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.45 -46.29 80.44 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 38.3 tp -71.62 -38.71 70.76 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.693 -0.629 . . . . 0.0 112.353 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 22.3 tp -73.28 -31.5 64.1 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.608 0.763 . . . . 0.0 112.27 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.07 79.3 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.157 -0.965 . . . . 0.0 112.677 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -61.77 -47.2 86.24 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.395 0.998 . . . . 0.0 111.811 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 94.3 p -64.88 -40.49 95.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.93 -40.9 97.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.121 -0.987 . . . . 0.0 112.005 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 99.2 m -60.93 -39.19 88.51 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.331 -0.855 . . . . 0.0 111.444 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.89 -33.24 74.34 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.154 -0.966 . . . . 0.0 112.965 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.38 -49.92 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 121.0 -1.063 . . . . 0.0 110.55 170.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.21 -46.61 75.92 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.4 1.08 . . . . 0.0 111.355 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.63 -47.26 87.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.491 1.516 . . . . 0.0 111.749 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.75 -41.03 72.33 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.511 0.725 . . . . 0.0 112.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -61.9 -41.0 97.38 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.099 0.863 . . . . 0.0 111.896 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.41 83.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.58 0.752 . . . . 0.0 112.404 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.69 88.99 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.816 0.846 . . . . 0.0 112.431 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.05 -40.95 91.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.672 1.189 . . . . 0.0 111.466 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -65.88 -48.9 69.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.171 0.588 . . . . 0.0 112.246 174.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.49 89.63 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.94 -24.97 64.34 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.84 -39.87 66.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.199 0.909 . . . . 0.0 111.92 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -70.81 -37.03 73.21 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.811 -0.556 . . . . 0.0 112.284 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.04 -20.94 60.49 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.49 -7.12 57.06 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 176.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -133.21 -15.7 2.51 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.943 2.201 . . . . 0.0 116.943 -174.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 125.858 1.663 . . . . 0.0 112.776 172.356 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 CA-C-O 117.971 -1.461 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -60.01 -28.15 86.46 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.868 3.045 . . . . 0.0 115.394 -173.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.46 -3.04 85.89 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 124.865 1.221 . . . . 0.0 115.431 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t 65.24 153.16 0.06 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.988 2.115 . . . . 0.0 114.244 -170.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -82.56 163.33 21.56 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.115 1.366 . . . . 0.0 113.333 -173.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -71.77 158.51 35.98 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.302 1.041 . . . . 0.0 111.203 167.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -140.39 59.87 1.55 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.77 1.228 . . . . 0.0 111.589 -174.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.91 31.89 18.69 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.897 1.679 . . . . 0.0 114.951 -177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.66 145.86 82.06 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.41 1.084 . . . . 0.0 111.777 171.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.32 166.77 29.04 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.739 2.959 . . . . 0.0 112.26 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.29 -33.53 37.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.0 -31.78 72.19 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.343 1.057 . . . . 0.0 112.901 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -76.27 -53.7 7.84 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.878 0.871 . . . . 0.0 111.949 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.3 -28.83 69.0 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.149 -0.969 . . . . 0.0 113.139 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -69.33 -29.91 67.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.987 0.915 . . . . 0.0 112.553 172.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.71 -36.76 57.0 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.935 -1.103 . . . . 0.0 112.123 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.29 -48.09 79.57 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.448 1.099 . . . . 0.0 111.75 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.4 -38.34 89.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.382 0.992 . . . . 0.0 111.927 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -73.38 -40.66 64.16 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -69.85 -29.28 66.48 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.867 0.758 . . . . 0.0 112.608 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -67.19 -26.49 66.65 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.902 -1.123 . . . . 0.0 113.231 172.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.2 mtt -88.95 -5.02 58.27 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.159 1.384 . . . . 0.0 113.62 173.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.57 19.31 79.01 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.428 1.013 . . . . 0.0 114.406 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -66.29 138.92 57.98 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.402 1.481 . . . . 0.0 111.199 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.07 -29.45 68.41 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.094 -1.004 . . . . 0.0 112.675 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.15 164.42 42.27 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.178 0.894 . . . . 0.0 113.743 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.63 147.87 11.38 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.486 1.041 . . . . 0.0 112.965 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.76 -169.45 45.08 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.071 0.843 . . . . 0.0 114.224 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.4 t 55.35 29.26 12.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.209 1.803 . . . . 0.0 114.668 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.87 173.06 55.36 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.919 1.247 . . . . 0.0 114.548 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.29 -154.81 50.96 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.516 1.055 . . . . 0.0 114.134 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.83 -118.72 5.38 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.648 1.118 . . . . 0.0 112.364 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -65.89 158.54 27.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.33 1.052 . . . . 0.0 113.185 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.1 tpt -65.28 -19.32 65.91 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -77.22 -27.53 53.44 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 168.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -80.77 -39.24 27.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.046 0.938 . . . . 0.0 111.836 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 tt -60.16 -38.88 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.446 1.098 . . . . 0.0 112.133 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -58.63 -50.45 73.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.22 0.918 . . . . 0.0 111.693 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -65.44 -45.4 83.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.396 0.678 . . . . 0.0 112.13 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 tp -73.86 -31.92 63.39 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -76.28 -34.98 59.11 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.167 -0.958 . . . . 0.0 111.781 172.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.66 -32.02 73.06 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 171.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -57.66 -47.6 81.82 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.24 1.816 . . . . 0.0 111.228 173.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -66.77 -43.24 84.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 171.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.88 -37.53 82.48 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.191 0.905 . . . . 0.0 112.375 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -60.97 -40.43 93.35 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.258 -0.901 . . . . 0.0 111.763 174.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -71.96 -34.43 68.98 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.409 -0.807 . . . . 0.0 112.865 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.14 -50.31 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.582 0.753 . . . . 0.0 110.13 170.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -61.62 -41.95 98.2 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.813 0.845 . . . . 0.0 112.44 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -56.97 -50.04 73.88 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.507 1.123 . . . . 0.0 111.645 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.79 -47.84 79.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.637 0.775 . . . . 0.0 112.309 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -63.01 -42.2 99.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.828 0.851 . . . . 0.0 112.433 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.49 93.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.52 0.728 . . . . 0.0 112.332 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.78 82.98 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.63 -43.47 96.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.732 0.813 . . . . 0.0 111.541 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -63.92 -39.27 93.79 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.651 0.781 . . . . 0.0 113.048 176.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.81 77.39 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.941 0.896 . . . . 0.0 113.303 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -77.9 -35.38 50.77 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.521 0.729 . . . . 0.0 112.867 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.49 -43.13 91.12 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.667 1.121 . . . . 0.0 112.599 -173.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.01 -22.78 65.88 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.06 -45.43 12.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.583 1.153 . . . . 0.0 112.616 176.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -86.25 46.73 1.37 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.16 1.784 . . . . 0.0 113.866 -171.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -139.9 20.91 2.48 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 . . . . . 0 C--O 1.255 1.375 0 C-N-CA 124.603 1.161 . . . . 0.0 113.026 170.64 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 CA-C-O 119.533 -0.593 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -60.39 154.82 50.52 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 124.286 3.324 . . . . 0.0 114.14 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -76.93 173.08 54.95 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.649 1.119 . . . . 0.0 114.102 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 58.3 m -68.98 149.22 49.06 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.289 1.036 . . . . 0.0 113.003 175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -72.69 139.6 47.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.005 0.922 . . . . 0.0 113.38 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -81.53 42.27 0.67 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.508 1.523 . . . . 0.0 113.416 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -131.94 -19.14 2.61 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.279 1.432 . . . . 0.0 114.662 -176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.85 -21.45 40.74 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.304 1.042 . . . . 0.0 113.787 177.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 pp -56.85 150.4 38.12 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 125.181 1.392 . . . . 0.0 111.553 162.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.52 155.61 69.4 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 122.778 2.319 . . . . 0.0 112.069 -174.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 tt -59.95 -30.04 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -59.99 -30.08 68.89 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.581 0.752 . . . . 0.0 112.768 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -78.9 -50.99 10.3 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.417 -0.802 . . . . 0.0 112.558 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.7 -33.35 75.67 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.946 1.248 . . . . 0.0 112.644 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t -62.92 -37.45 87.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.529 1.132 . . . . 0.0 112.812 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.3 -38.67 65.79 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.202 -0.937 . . . . 0.0 112.036 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.17 -45.2 92.92 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.297 1.039 . . . . 0.0 112.548 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.11 -37.01 85.5 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.977 1.262 . . . . 0.0 112.002 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -70.45 -37.34 74.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.004 0.922 . . . . 0.0 113.049 174.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -65.66 -39.06 90.95 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.733 1.213 . . . . 0.0 112.445 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.8 -37.32 86.95 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.615 -0.678 . . . . 0.0 112.423 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 40.8 mtt -71.54 -17.07 62.34 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.161 0.984 . . . . 0.0 113.56 172.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.53 20.05 79.78 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.624 1.106 . . . . 0.0 114.162 -172.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -95.39 125.6 40.12 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.603 1.561 . . . . 0.0 112.391 -173.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -83.74 -10.66 57.97 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.694 1.198 . . . . 0.0 113.875 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.76 -169.81 24.12 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.333 1.444 . . . . 0.0 115.436 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.15 -157.73 28.68 Favored Glycine 0 N--CA 1.471 1.013 0 C-N-CA 124.734 1.159 . . . . 0.0 113.375 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -161.46 175.02 38.08 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.174 1.368 . . . . 0.0 112.373 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 33.4 t -65.2 128.31 35.27 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 122.133 -0.628 . . . . 0.0 111.795 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -75.57 142.63 29.25 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.425 1.012 . . . . 0.0 113.32 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 173.69 169.69 36.27 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 123.939 0.78 . . . . 0.0 113.954 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.16 0.6 57.33 Favored Glycine 0 CA--C 1.542 1.728 0 C-N-CA 125.561 1.553 . . . . 0.0 115.204 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 67.8 m -67.6 152.66 45.26 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 118.526 1.163 . . . . 0.0 111.598 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -33.22 70.31 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -69.25 -40.23 77.99 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.932 -1.105 . . . . 0.0 112.501 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.65 -42.15 91.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.136 0.974 . . . . 0.0 111.464 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.69 -40.52 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 123.797 0.839 . . . . 0.0 112.12 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.15 -40.62 90.5 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.017 0.826 . . . . 0.0 111.868 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.54 -51.13 69.84 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.872 0.76 . . . . 0.0 112.282 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.65 -42.85 90.92 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.417 0.687 . . . . 0.0 111.778 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.5 tp -73.38 -34.53 65.6 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.57 95.73 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.853 0.861 . . . . 0.0 112.054 169.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -58.94 -46.83 87.04 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.731 1.212 . . . . 0.0 111.723 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 7.8 t -64.31 -44.29 92.05 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.432 0.693 . . . . 0.0 112.745 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.58 -41.92 98.11 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.909 -1.119 . . . . 0.0 112.606 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 67.1 m -58.64 -40.04 82.27 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.501 -0.749 . . . . 0.0 112.178 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -68.89 -31.24 70.03 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.167 -0.958 . . . . 0.0 113.474 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.28 -49.99 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.151 -0.968 . . . . 0.0 109.768 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -62.99 -40.08 96.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.087 0.955 . . . . 0.0 112.073 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -61.75 -46.66 88.63 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.774 1.23 . . . . 0.0 111.607 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.78 -43.88 82.8 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.649 0.78 . . . . 0.0 112.155 176.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -59.03 -44.58 91.76 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.953 0.797 . . . . 0.0 112.552 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.34 -45.54 93.98 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.616 0.766 . . . . 0.0 112.354 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.32 88.14 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.273 0.629 . . . . 0.0 112.666 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -65.46 -43.83 89.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.599 0.76 . . . . 0.0 111.352 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -62.7 -39.84 95.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.066 -1.021 . . . . 0.0 112.371 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.75 73.75 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.605 -0.684 . . . . 0.0 112.543 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.37 -32.37 70.02 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.709 -0.619 . . . . 0.0 112.405 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.61 -39.52 91.54 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.356 -0.84 . . . . 0.0 111.346 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -68.78 -39.55 80.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.36 1.064 . . . . 0.0 111.842 171.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.14 71.04 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.929 -1.107 . . . . 0.0 113.484 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 9.3 mmt-85 -74.69 -9.21 58.34 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -119.31 -8.06 10.14 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.435 1.494 . . . . 0.0 113.476 -179.13 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.306 0 CA-C-O 119.794 -0.448 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -67.8 156.06 67.45 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.926 3.084 . . . . 0.0 113.12 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.65 145.62 8.08 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.807 1.194 . . . . 0.0 112.957 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.0 m -77.29 -14.42 59.75 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -173.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -142.39 155.92 45.17 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.132 1.373 . . . . 0.0 112.148 -173.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -136.93 11.4 3.1 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.01 -19.38 63.32 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.178 1.391 . . . . 0.0 114.516 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.07 11.06 24.31 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.379 1.472 . . . . 0.0 114.799 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -60.72 150.93 74.17 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 123.649 0.78 . . . . 0.0 110.743 170.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -61.75 146.24 96.77 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.924 2.416 . . . . 0.0 113.135 -170.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.7 tt -64.55 -26.18 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -168.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.24 -26.3 66.32 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.879 1.271 . . . . 0.0 113.245 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -83.07 -56.24 3.91 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.148 0.979 . . . . 0.0 112.11 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.69 -33.99 74.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.944 1.247 . . . . 0.0 112.578 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.5 m -73.53 -20.85 60.54 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.16 0.984 . . . . 0.0 113.419 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.56 -37.08 32.08 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.202 0.91 . . . . 0.0 111.658 166.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.68 -41.49 99.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.034 0.834 . . . . 0.0 112.153 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.92 -36.54 84.3 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.798 1.181 . . . . 0.0 112.719 174.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -64.66 -48.67 73.91 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.877 0.871 . . . . 0.0 111.036 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -60.18 -42.38 94.87 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.369 1.468 . . . . 0.0 113.17 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.57 -32.65 74.35 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.142 -0.973 . . . . 0.0 112.654 174.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.0 mtm -85.79 4.43 36.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.194 1.398 . . . . 0.0 113.85 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.71 8.73 87.58 Favored Glycine 0 CA--C 1.541 1.712 0 N-CA-C 115.762 1.065 . . . . 0.0 115.762 176.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -78.6 125.62 29.62 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.085 1.354 . . . . 0.0 110.311 170.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -71.42 -12.64 61.51 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.72 164.55 38.58 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.621 1.105 . . . . 0.0 114.736 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.05 -168.17 19.99 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.165 1.364 . . . . 0.0 112.667 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.46 -118.14 9.68 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 t 58.87 -150.48 0.44 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.314 1.045 . . . . 0.0 112.065 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.64 33.48 34.26 Favored Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.005 -1.06 . . . . 0.0 115.367 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.49 146.1 49.7 Favored Glycine 0 CA--C 1.535 1.327 0 CA-C-N 118.103 0.951 . . . . 0.0 113.211 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.1 -10.88 83.25 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.205 0.907 . . . . 0.0 115.223 -175.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -68.68 148.01 51.04 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.682 1.241 . . . . 0.0 112.096 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mmt -55.35 -34.9 64.67 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.575 1.15 . . . . 0.0 113.994 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -71.0 -32.54 69.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.784 0.834 . . . . 0.0 113.044 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -76.05 -43.31 44.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.15 0.98 . . . . 0.0 111.429 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -69.6 -40.15 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.276 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.31 -43.11 88.0 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.4 1.0 . . . . 0.0 111.959 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -65.76 -53.49 39.8 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.838 0.745 . . . . 0.0 112.126 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.12 -46.27 88.1 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.502 0.592 . . . . 0.0 111.927 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -74.68 -23.41 58.62 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.922 0.889 . . . . 0.0 113.11 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.03 -39.44 41.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.833 0.742 . . . . 0.0 112.924 167.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -59.74 -46.97 87.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.421 1.088 . . . . 0.0 111.362 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.4 p -63.37 -45.14 92.5 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.99 -39.55 82.16 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.112 0.965 . . . . 0.0 112.668 176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.0 m -61.13 -38.72 87.4 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.665 0.786 . . . . 0.0 111.922 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.96 -34.38 75.23 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.22 -48.38 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.822 0.737 . . . . 0.0 109.914 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.79 -37.89 89.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.257 1.023 . . . . 0.0 113.062 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -60.76 -43.05 98.49 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.667 1.187 . . . . 0.0 112.959 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.6 -43.45 76.44 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.791 0.723 . . . . 0.0 111.912 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.08 -32.29 73.36 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.05 86.14 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.128 0.877 . . . . 0.0 112.685 175.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.72 -43.56 58.84 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.859 0.863 . . . . 0.0 112.449 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -65.56 -43.91 88.38 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.723 0.809 . . . . 0.0 112.315 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.17 -33.17 75.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.154 0.981 . . . . 0.0 112.629 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.86 -47.54 52.22 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.7 0.8 . . . . 0.0 112.68 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.32 -32.59 70.41 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.095 0.861 . . . . 0.0 113.046 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.93 -38.21 90.13 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.714 0.806 . . . . 0.0 112.511 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -88.56 -17.4 30.29 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.93 -43.37 30.12 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.95 0.9 . . . . 0.0 113.045 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -66.68 -15.23 63.35 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -171.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -83.53 -5.57 59.21 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 . . . . . 0 C--O 1.253 1.252 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -171.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.768 -0.533 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -61.43 153.04 68.87 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.801 3.001 . . . . 0.0 114.036 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -81.35 -172.64 46.89 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.6 1.095 . . . . 0.0 113.912 174.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 56.6 m -92.42 140.77 29.24 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.237 1.015 . . . . 0.0 111.009 166.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -137.17 156.32 48.48 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.134 1.374 . . . . 0.0 111.513 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -80.12 58.38 2.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.821 1.248 . . . . 0.0 112.472 -174.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.86 -22.74 14.28 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 -170.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.76 -17.6 50.42 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -171.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.28 154.71 30.36 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 125.118 1.367 . . . . 0.0 111.438 160.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.29 150.24 88.67 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.921 2.414 . . . . 0.0 112.668 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 17.6 tt -61.1 -28.18 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.028 0.931 . . . . 0.0 113.492 -173.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.68 -36.47 74.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.541 1.136 . . . . 0.0 112.599 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -77.09 -49.54 15.06 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.707 0.803 . . . . 0.0 112.258 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.85 -35.07 79.43 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.594 1.088 . . . . 0.0 112.192 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t -70.97 -38.67 72.77 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.29 83.08 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.566 -1.334 . . . . 0.0 112.331 171.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.85 -50.35 69.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.674 0.79 . . . . 0.0 111.461 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.23 -32.7 74.29 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 120.122 1.328 . . . . 0.0 112.871 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -65.49 -46.69 78.75 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.367 -0.833 . . . . 0.0 111.397 173.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -66.41 -32.37 73.71 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.821 0.848 . . . . 0.0 112.887 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -61.49 -42.75 99.27 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.14 0.976 . . . . 0.0 112.65 172.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 64.2 mtm -83.6 -6.7 59.52 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.36 25.12 75.76 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.188 0.899 . . . . 0.0 113.765 -173.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -69.77 100.07 1.46 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.444 1.498 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -71.22 -2.21 15.21 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.271 1.429 . . . . 0.0 114.796 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.0 -33.23 74.16 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-O 119.506 -0.608 . . . . 0.0 113.118 168.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.87 -157.03 17.01 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.784 1.183 . . . . 0.0 114.928 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 66.05 -162.6 42.64 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.746 1.165 . . . . 0.0 115.51 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 31.5 t -160.37 154.88 23.72 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.735 1.614 . . . . 0.0 110.335 172.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 171.21 -167.72 40.86 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.515 -0.741 . . . . 0.0 114.339 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 77.86 -174.32 54.86 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 124.749 1.166 . . . . 0.0 114.223 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 172.9 -11.33 0.04 OUTLIER Glycine 0 CA--C 1.537 1.448 0 N-CA-C 116.175 1.23 . . . . 0.0 116.175 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 57.8 m -71.47 160.6 32.43 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.938 1.369 . . . . 0.0 111.525 173.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -37.37 71.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.728 0.811 . . . . 0.0 112.4 -178.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -67.19 -26.43 66.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.832 0.853 . . . . 0.0 113.203 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -73.85 -51.49 16.09 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.358 -0.838 . . . . 0.0 110.473 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 11.6 tt -62.81 -38.64 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.042 0.937 . . . . 0.0 112.105 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -56.82 -53.38 58.55 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.665 1.12 . . . . 0.0 111.963 175.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.79 -46.49 81.86 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.501 0.72 . . . . 0.0 111.977 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 54.7 tp -67.5 -42.87 82.15 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.754 0.822 . . . . 0.0 112.834 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.6 tp -72.21 -34.51 68.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.503 0.721 . . . . 0.0 112.1 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.46 78.48 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.454 -0.779 . . . . 0.0 113.01 170.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -62.49 -44.92 95.21 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.704 1.202 . . . . 0.0 111.612 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 54.4 p -65.85 -38.88 90.04 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.629 -0.67 . . . . 0.0 112.775 172.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.54 -45.07 88.72 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.162 0.985 . . . . 0.0 112.71 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.6 t -64.86 -29.7 70.66 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.843 -1.161 . . . . 0.0 112.825 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.37 -36.03 80.54 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.041 -1.037 . . . . 0.0 112.821 173.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 90.2 mt -58.76 -47.8 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 121.218 -0.926 . . . . 0.0 109.78 170.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -61.08 -42.25 98.17 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.567 0.747 . . . . 0.0 112.584 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -58.19 -50.16 74.5 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.179 0.9 . . . . 0.0 111.763 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.19 -37.05 66.62 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -61.19 -46.8 88.97 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.717 0.69 . . . . 0.0 111.358 171.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.93 93.83 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.414 0.686 . . . . 0.0 112.492 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.25 83.18 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.401 -0.812 . . . . 0.0 112.583 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -63.3 -42.53 99.05 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.805 0.842 . . . . 0.0 111.116 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.28 -48.43 78.18 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.2 -0.938 . . . . 0.0 112.412 174.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.22 95.35 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.276 1.03 . . . . 0.0 112.884 -174.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.49 -39.61 77.55 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.597 0.635 . . . . 0.0 111.554 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -67.79 -38.16 82.99 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.947 -1.095 . . . . 0.0 113.322 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -73.35 -14.59 61.32 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 175.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -92.7 -45.22 8.15 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.91 1.284 . . . . 0.0 112.875 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.65 11.97 6.51 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.301 1.84 . . . . 0.0 114.597 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 31.7 ptt85 -75.89 -3.79 37.26 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.502 1.921 . . . . 0.0 115.177 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 127.191 2.196 . . . . 0.0 112.739 -178.753 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -70.44 160.77 48.37 Favored 'Trans proline' 0 CA--C 1.547 1.155 0 C-N-CA 123.944 3.096 . . . . 0.0 113.124 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.14 155.25 20.08 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.79 1.186 . . . . 0.0 113.239 175.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.8 p -78.2 -33.5 49.98 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.306 1.043 . . . . 0.0 113.053 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 51.04 45.14 28.19 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.498 1.919 . . . . 0.0 113.802 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -81.69 2.99 27.15 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.571 1.548 . . . . 0.0 114.576 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 52.53 17.4 0.78 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 126.638 1.975 . . . . 0.0 115.462 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 50.66 33.9 8.96 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.513 1.925 . . . . 0.0 113.969 -172.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -59.64 149.65 70.26 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.657 1.183 . . . . 0.0 113.171 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.81 162.72 41.14 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.46 2.773 . . . . 0.0 113.324 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.6 tt -58.3 -37.17 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.42 -29.18 70.51 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.562 0.745 . . . . 0.0 112.671 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -75.31 -54.22 7.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.711 0.805 . . . . 0.0 111.219 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.14 -32.47 74.05 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.031 0.832 . . . . 0.0 112.522 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -65.1 -32.12 73.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.004 1.322 . . . . 0.0 113.232 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.32 -39.03 33.81 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.011 -1.056 . . . . 0.0 112.605 171.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.5 -39.54 88.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.179 0.992 . . . . 0.0 112.132 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.82 -39.36 91.53 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.972 1.26 . . . . 0.0 111.944 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -68.86 -43.21 75.87 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.162 0.985 . . . . 0.0 111.398 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -68.58 -30.63 69.42 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.938 0.895 . . . . 0.0 113.271 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -62.13 -39.58 93.06 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.86 -1.15 . . . . 0.0 111.859 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 mtm -79.9 7.63 8.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.631 1.573 . . . . 0.0 114.17 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 11.42 84.17 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.046 1.178 . . . . 0.0 116.046 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -73.24 162.39 29.43 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 118.871 1.336 . . . . 0.0 112.058 171.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -70.62 -23.99 62.65 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.52 178.63 36.54 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.681 1.134 . . . . 0.0 114.411 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.98 165.58 43.72 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.658 1.123 . . . . 0.0 113.651 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.28 10.2 0.07 OUTLIER Glycine 0 CA--C 1.54 1.642 0 N-CA-C 115.383 0.913 . . . . 0.0 115.383 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -160.06 171.65 18.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.992 1.717 . . . . 0.0 111.468 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.29 172.74 31.5 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.75 1.166 . . . . 0.0 112.761 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.09 164.24 53.75 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-O 121.848 0.693 . . . . 0.0 114.492 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.98 -64.08 0.07 OUTLIER Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.88 1.228 . . . . 0.0 111.992 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -82.92 160.57 22.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.974 0.91 . . . . 0.0 111.657 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -36.33 70.57 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.44 1.096 . . . . 0.0 112.682 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.9 -30.18 70.27 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.328 -0.857 . . . . 0.0 112.819 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -71.88 -45.92 59.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.52 0.728 . . . . 0.0 110.986 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -67.21 -37.57 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.602 0.761 . . . . 0.0 111.839 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -56.11 -48.96 75.16 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.188 0.904 . . . . 0.0 111.56 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -65.2 -47.08 78.16 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.985 0.914 . . . . 0.0 112.834 -177.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.74 -47.5 80.8 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.589 0.631 . . . . 0.0 111.816 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.42 -36.73 71.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.72 -38.15 80.02 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.55 -0.719 . . . . 0.0 112.597 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.99 -42.5 99.21 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.969 0.908 . . . . 0.0 111.007 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 m -62.5 -44.87 95.32 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.76 -38.67 82.45 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.367 1.067 . . . . 0.0 112.018 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.6 m -59.95 -39.89 87.13 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.392 -0.818 . . . . 0.0 112.072 176.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.89 -36.14 77.71 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.104 -0.997 . . . . 0.0 113.149 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.2 -50.76 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 O-C-N 121.33 -0.856 . . . . 0.0 109.99 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.15 -42.63 95.28 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.996 0.919 . . . . 0.0 112.384 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -57.16 -50.24 73.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.821 1.249 . . . . 0.0 112.38 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.62 -38.04 67.89 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.28 0.632 . . . . 0.0 112.691 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.99 -41.35 99.55 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.102 0.864 . . . . 0.0 112.205 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.16 97.45 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.16 95.47 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.544 0.738 . . . . 0.0 112.594 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -62.54 -47.52 83.56 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.098 0.959 . . . . 0.0 111.059 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -64.24 -36.0 82.65 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.376 -0.827 . . . . 0.0 113.034 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.82 82.58 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.739 1.216 . . . . 0.0 113.304 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 pp -73.58 -38.63 65.1 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.527 0.603 . . . . 0.0 111.964 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.44 -49.49 77.59 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.587 0.755 . . . . 0.0 112.578 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -68.75 -30.06 68.59 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.6 -24.09 56.52 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.248 1.019 . . . . 0.0 113.117 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -123.43 38.47 4.18 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.995 2.118 . . . . 0.0 111.247 -173.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -83.98 -14.47 50.73 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -174.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 C--O 1.252 1.19 0 C-N-CA 126.329 1.852 . . . . 0.0 113.225 -176.604 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.749 -0.54 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.26 159.36 31.18 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.178 3.252 . . . . 0.0 114.58 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.8 -159.96 21.24 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.514 1.054 . . . . 0.0 113.057 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 45.7 m -72.58 149.49 43.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.1 0.96 . . . . 0.0 112.247 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -138.64 147.19 42.59 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.17 1.388 . . . . 0.0 111.915 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -90.95 15.05 12.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.377 1.471 . . . . 0.0 114.91 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.74 -26.72 65.88 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.54 18.62 8.34 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.208 1.803 . . . . 0.0 114.042 -177.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.28 150.6 31.44 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.954 1.302 . . . . 0.0 114.071 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.49 167.07 28.02 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.713 2.942 . . . . 0.0 112.897 -174.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.5 tt -58.81 -31.92 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -64.12 -34.6 78.43 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.212 -0.93 . . . . 0.0 112.431 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -73.97 -53.26 10.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.875 0.761 . . . . 0.0 111.73 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.77 -31.06 71.46 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.162 -0.961 . . . . 0.0 113.154 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 39.7 t -69.07 -42.8 75.73 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.338 0.655 . . . . 0.0 111.089 171.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.94 89.62 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.578 -1.326 . . . . 0.0 111.6 172.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.87 -46.07 86.57 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.846 0.748 . . . . 0.0 112.605 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.01 -34.17 77.14 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.49 1.495 . . . . 0.0 112.376 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -66.1 -37.41 85.71 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.181 0.992 . . . . 0.0 111.602 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -69.05 -31.78 70.8 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.532 1.533 . . . . 0.0 113.081 174.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.98 -34.53 77.95 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.27 1.395 . . . . 0.0 112.318 169.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 51.0 mtt -75.61 -15.36 60.35 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.48 1.112 . . . . 0.0 113.661 172.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 103.07 3.37 48.46 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 126.116 1.817 . . . . 0.0 116.559 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -87.12 152.84 22.0 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.14 1.376 . . . . 0.0 111.644 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -68.18 -33.61 74.76 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.538 -1.351 . . . . 0.0 114.561 -168.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 168.7 -172.85 43.26 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.647 1.118 . . . . 0.0 113.749 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 169.31 -150.74 15.96 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.199 0.904 . . . . 0.0 113.944 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -168.99 -150.4 6.68 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 125.679 1.609 . . . . 0.0 111.917 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 41.7 p -76.56 163.2 27.13 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 117.892 0.846 . . . . 0.0 111.373 164.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -90.99 15.98 59.64 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.799 1.666 . . . . 0.0 113.54 166.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 115.75 -2.3 21.52 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 125.499 1.523 . . . . 0.0 115.097 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.08 19.33 70.03 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 118.905 1.352 . . . . 0.0 115.522 172.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 37.7 t -61.44 158.04 15.61 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.486 1.143 . . . . 0.0 112.464 169.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.9 tpt -64.64 -28.16 69.42 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -75.33 -38.04 60.42 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.503 -0.748 . . . . 0.0 112.163 169.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -61.49 -46.52 89.66 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.26 1.024 . . . . 0.0 111.583 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.8 tt -62.82 -41.04 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 121.643 -0.66 . . . . 0.0 112.725 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -60.48 -48.68 80.71 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.343 0.974 . . . . 0.0 110.957 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.15 -45.8 86.9 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.263 0.625 . . . . 0.0 112.165 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 46.9 tp -68.06 -40.77 82.72 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.809 0.844 . . . . 0.0 112.709 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.7 tp -77.98 -26.01 48.45 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.449 1.1 . . . . 0.0 112.329 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.95 79.5 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.518 -0.739 . . . . 0.0 112.224 168.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -57.5 -46.59 83.58 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.314 -0.866 . . . . 0.0 112.618 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 51.3 p -65.24 -38.1 89.31 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.49 -44.27 91.5 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.956 0.902 . . . . 0.0 112.204 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 74.3 m -59.93 -41.44 91.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.831 0.852 . . . . 0.0 111.79 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -66.31 -33.68 76.28 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.116 -0.99 . . . . 0.0 113.223 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.9 -49.29 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.469 0.708 . . . . 0.0 110.033 170.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -65.91 -40.38 91.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.692 1.197 . . . . 0.0 112.347 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 34.9 mtp-105 -58.91 -47.59 84.45 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.429 1.092 . . . . 0.0 112.326 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.38 -36.08 73.91 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.53 -42.21 95.9 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.699 0.681 . . . . 0.0 112.42 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.3 99.23 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 174.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.6 85.08 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.748 0.819 . . . . 0.0 112.246 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -61.24 -40.53 94.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.703 1.201 . . . . 0.0 111.44 177.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -44.02 90.86 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.083 174.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.51 91.11 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.815 0.846 . . . . 0.0 113.162 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.53 -23.05 61.7 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.5 -41.77 79.53 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.598 -0.689 . . . . 0.0 112.158 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -65.72 -35.36 80.51 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.199 -0.938 . . . . 0.0 112.363 173.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.74 76.15 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.082 0.953 . . . . 0.0 113.222 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 67.8 mtt85 -77.91 -5.34 50.74 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -105.91 10.35 32.44 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 169.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 . . . . . 0 C--O 1.255 1.345 0 C-N-CA 128.132 2.573 . . . . 0.0 114.866 176.406 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.415 0 CA-C-O 119.43 -0.65 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.29 141.36 51.53 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.616 2.878 . . . . 0.0 112.493 -177.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.37 -33.09 0.44 Allowed Glycine 0 CA--C 1.534 1.264 0 C-N-CA 126.767 2.127 . . . . 0.0 117.25 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.3 t 52.98 44.19 30.75 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.337 1.455 . . . . 0.0 112.667 -174.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -60.03 152.93 22.74 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.533 1.533 . . . . 0.0 114.174 -170.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -79.43 30.27 0.23 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.442 1.897 . . . . 0.0 113.918 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.96 104.59 5.61 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.601 1.56 . . . . 0.0 112.8 -171.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.61 36.54 17.53 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.813 2.045 . . . . 0.0 114.596 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.25 152.32 79.23 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.805 1.242 . . . . 0.0 112.536 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.02 164.57 29.47 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.239 2.626 . . . . 0.0 112.933 -175.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 tt -56.32 -35.11 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.654 1.182 . . . . 0.0 113.842 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -64.42 -26.35 68.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.764 0.826 . . . . 0.0 113.203 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -81.16 -55.99 4.38 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.452 -0.78 . . . . 0.0 112.234 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.66 -32.16 73.56 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.901 -1.124 . . . . 0.0 113.284 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -74.25 -23.86 59.21 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.55 -39.4 46.04 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.693 0.679 . . . . 0.0 111.923 167.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.68 -41.45 90.7 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.663 0.785 . . . . 0.0 112.387 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.43 -34.78 78.72 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.22 0.918 . . . . 0.0 112.544 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -69.7 -42.69 73.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.583 0.629 . . . . 0.0 111.487 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -59.59 -38.48 81.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.974 1.31 . . . . 0.0 112.442 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -66.64 -28.53 68.55 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 172.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.5 mtm -92.94 -2.8 55.47 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.168 1.387 . . . . 0.0 114.719 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.9 17.49 76.96 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 114.659 -172.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -95.61 17.6 14.53 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 128.131 2.573 . . . . 0.0 112.773 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -62.99 -7.2 4.82 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 -165.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.72 -16.86 80.38 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.223 0.916 . . . . 0.0 114.307 169.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.2 151.03 39.74 Favored Glycine 0 CA--C 1.543 1.813 0 CA-C-N 118.329 1.065 . . . . 0.0 114.269 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.11 166.55 54.86 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.835 1.207 . . . . 0.0 114.106 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.6 p -68.02 -31.83 71.79 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.98 -144.27 48.97 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 123.864 0.745 . . . . 0.0 114.09 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.72 10.99 80.65 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.765 1.174 . . . . 0.0 115.885 174.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.05 -9.16 87.35 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 124.929 1.252 . . . . 0.0 114.994 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.5 t -152.82 162.46 41.26 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.336 1.855 . . . . 0.0 111.055 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -35.66 65.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.968 1.307 . . . . 0.0 112.73 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -68.92 -27.84 66.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.09 0.956 . . . . 0.0 113.197 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -75.91 -48.0 23.06 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.475 -0.765 . . . . 0.0 110.98 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -66.62 -35.43 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.486 -0.759 . . . . 0.0 112.029 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -61.28 -25.83 67.36 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.696 1.135 . . . . 0.0 113.288 174.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -85.24 -50.33 7.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.884 0.874 . . . . 0.0 111.792 170.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 tp -66.96 -45.32 78.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.538 1.135 . . . . 0.0 113.241 -171.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.9 tp -72.85 -23.46 60.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.895 1.278 . . . . 0.0 112.765 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.63 -30.48 56.91 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.739 0.816 . . . . 0.0 112.637 169.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -69.09 -41.0 78.08 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.165 -0.959 . . . . 0.0 112.913 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 p -65.28 -39.29 92.38 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.108 0.563 . . . . 0.0 111.999 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.17 -41.89 93.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.785 1.234 . . . . 0.0 112.191 171.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.7 m -60.74 -41.3 95.11 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.391 0.676 . . . . 0.0 111.9 174.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -66.45 -36.52 82.98 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.494 -0.754 . . . . 0.0 112.459 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -59.69 -52.58 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.446 1.021 . . . . 0.0 110.472 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -56.74 -43.77 81.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.517 0.727 . . . . 0.0 112.477 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 46.1 ttm180 -58.13 -52.39 65.74 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.217 1.407 . . . . 0.0 112.111 176.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.43 -34.34 65.4 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.791 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.67 -44.51 96.82 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.432 1.015 . . . . 0.0 111.808 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.83 91.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.669 0.788 . . . . 0.0 112.342 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.98 86.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.68 0.792 . . . . 0.0 112.126 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -59.39 -47.25 86.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.435 1.494 . . . . 0.0 111.584 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -62.06 -41.81 98.54 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.595 0.758 . . . . 0.0 112.556 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -47.77 76.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.291 0.636 . . . . 0.0 112.376 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.51 -27.91 64.55 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.97 -46.72 83.36 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.263 -0.898 . . . . 0.0 111.765 171.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -66.53 -36.4 82.59 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.473 0.709 . . . . 0.0 112.476 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.12 -34.67 78.11 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -85.41 -9.35 57.66 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -76.23 53.06 0.79 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.05 2.14 . . . . 0.0 114.701 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 . . . . . 0 C--O 1.25 1.125 0 C-N-CA 125.166 1.386 . . . . 0.0 113.087 174.283 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.505 0 CA-C-O 119.788 -0.451 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -73.26 -19.88 21.92 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.004 3.136 . . . . 0.0 114.14 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.79 -157.18 53.52 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.362 0.982 . . . . 0.0 113.578 -173.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.5 t -67.84 154.82 40.72 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.188 0.995 . . . . 0.0 112.617 176.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -63.47 158.14 21.6 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.685 1.194 . . . . 0.0 113.795 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -131.8 149.75 52.37 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.038 2.135 . . . . 0.0 110.316 168.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . 59.83 -33.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 128.375 2.67 . . . . 0.0 116.914 -172.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.14 -16.48 60.53 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.901 1.68 . . . . 0.0 113.872 175.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.2 152.47 22.49 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 125.602 1.561 . . . . 0.0 112.182 164.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -62.44 153.74 68.94 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 122.854 2.37 . . . . 0.0 112.393 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.6 tt -66.61 -25.26 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -171.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -65.51 -28.11 68.95 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.604 -0.685 . . . . 0.0 112.161 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -73.88 -48.36 31.49 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.666 -1.271 . . . . 0.0 112.589 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.47 -34.15 76.59 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.908 -1.12 . . . . 0.0 112.307 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.0 t -63.13 -41.9 99.4 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.804 0.842 . . . . 0.0 112.458 169.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.81 72.36 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.86 -1.15 . . . . 0.0 112.824 174.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.2 -46.52 77.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.039 0.836 . . . . 0.0 111.931 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.66 -32.65 72.64 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.298 1.408 . . . . 0.0 112.898 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -61.63 -46.66 88.85 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.189 0.904 . . . . 0.0 111.25 170.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -65.24 -41.92 93.88 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.262 1.425 . . . . 0.0 113.088 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -67.23 -34.04 76.63 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.189 -0.945 . . . . 0.0 113.022 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 77.4 mtm -78.69 -12.65 60.03 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 171.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 64.59 28.72 73.61 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.723 1.154 . . . . 0.0 113.381 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -79.14 132.14 36.46 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.42 1.488 . . . . 0.0 113.995 -168.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -94.47 -11.31 29.97 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.259 1.424 . . . . 0.0 113.476 170.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.91 -15.88 79.56 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.272 1.415 . . . . 0.0 116.038 -171.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.83 -142.74 32.52 Favored Glycine 0 CA--C 1.537 1.434 0 CA-C-N 118.955 1.377 . . . . 0.0 114.406 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.39 155.91 32.31 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.373 1.463 . . . . 0.0 113.356 -172.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 31.5 t -156.92 159.48 38.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.94 1.296 . . . . 0.0 111.275 -177.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.96 70.56 1.77 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.879 1.704 . . . . 0.0 114.202 -174.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -69.92 -9.65 63.31 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 124.697 1.142 . . . . 0.0 115.854 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.73 -8.05 80.6 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.359 1.457 . . . . 0.0 116.168 170.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.7 m -76.27 152.35 36.51 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.397 1.598 . . . . 0.0 111.138 168.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 11.1 mmt -57.67 -33.1 67.98 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -68.2 -25.75 65.39 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.178 -0.951 . . . . 0.0 113.354 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -75.38 -49.71 18.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.501 1.046 . . . . 0.0 110.893 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.63 -41.65 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.658 1.183 . . . . 0.0 111.716 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -59.11 -46.59 87.93 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.325 0.966 . . . . 0.0 111.83 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -66.04 -51.44 58.23 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.714 0.688 . . . . 0.0 112.853 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.91 -42.07 98.65 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.487 -0.758 . . . . 0.0 112.53 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.97 -30.63 62.6 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.272 0.629 . . . . 0.0 112.523 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.85 77.12 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 170.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -60.34 -51.01 71.36 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.441 1.018 . . . . 0.0 111.791 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 66.9 p -64.31 -39.5 94.04 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 176.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.9 -39.62 95.06 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.697 -1.252 . . . . 0.0 112.078 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 84.1 m -61.52 -38.0 85.77 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.303 -0.873 . . . . 0.0 111.388 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -69.14 -33.84 74.06 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.142 -0.974 . . . . 0.0 112.931 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.9 -49.6 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 120.963 -1.086 . . . . 0.0 109.681 171.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -54.76 -47.06 74.36 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.853 0.861 . . . . 0.0 111.435 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.75 -49.69 76.48 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.167 1.387 . . . . 0.0 112.246 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.83 -44.3 81.46 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.35 0.66 . . . . 0.0 112.748 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -66.73 -39.5 88.0 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.855 0.752 . . . . 0.0 111.907 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.35 83.22 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.218 0.607 . . . . 0.0 112.463 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.4 92.8 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.628 0.771 . . . . 0.0 112.39 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -57.77 -50.38 73.45 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.935 1.294 . . . . 0.0 111.073 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -62.01 -41.45 98.09 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.596 0.758 . . . . 0.0 112.67 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.08 -47.57 64.91 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.623 0.769 . . . . 0.0 112.949 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.14 -26.94 63.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.303 -0.873 . . . . 0.0 113.292 -175.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.31 -35.31 75.31 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.621 0.769 . . . . 0.0 112.165 170.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -86.09 -32.96 21.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.575 1.15 . . . . 0.0 112.896 176.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.66 78.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.217 1.007 . . . . 0.0 112.707 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -88.84 12.96 13.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.69 1.596 . . . . 0.0 114.337 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 -76.98 -12.25 59.91 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.551 1.94 . . . . 0.0 114.286 -177.705 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 CA-C-O 119.675 -0.514 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -69.62 158.31 57.57 Favored 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 124.097 3.198 . . . . 0.0 113.437 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.74 -163.69 54.82 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.728 1.156 . . . . 0.0 114.719 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.9 p -150.95 158.71 44.48 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.642 1.577 . . . . 0.0 112.084 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -132.52 -1.39 3.5 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -94.06 39.17 1.08 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.745 1.618 . . . . 0.0 112.861 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -117.18 119.13 34.27 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.009 1.723 . . . . 0.0 111.061 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.62 25.39 8.02 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.231 1.813 . . . . 0.0 115.548 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.82 156.29 66.57 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 124.715 1.206 . . . . 0.0 111.794 168.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.95 163.99 33.52 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.286 2.657 . . . . 0.0 113.589 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.3 tt -59.72 -31.87 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -173.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.3 -27.38 68.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.965 0.906 . . . . 0.0 113.049 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -85.37 -52.75 5.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.46 0.704 . . . . 0.0 112.036 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.93 -32.01 73.4 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.524 1.056 . . . . 0.0 113.198 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -67.24 -29.43 69.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.524 0.73 . . . . 0.0 112.875 173.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.71 -33.5 31.09 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.358 -0.839 . . . . 0.0 112.808 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.03 -44.99 95.53 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.275 -0.891 . . . . 0.0 111.65 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.88 -37.2 85.96 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.623 1.101 . . . . 0.0 112.191 178.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -66.7 -44.85 80.58 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.605 0.762 . . . . 0.0 111.51 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.05 -33.47 74.63 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -67.5 -28.23 67.67 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.223 1.009 . . . . 0.0 112.802 172.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.0 mtt -82.3 -9.01 59.64 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.14 1.376 . . . . 0.0 113.354 170.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.78 15.12 71.23 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.923 1.249 . . . . 0.0 115.923 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -71.25 134.55 46.92 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 118.693 1.247 . . . . 0.0 111.273 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -70.74 -24.37 62.61 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.167 0.987 . . . . 0.0 112.978 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.66 141.6 28.74 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.318 0.961 . . . . 0.0 113.272 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.45 8.47 7.85 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.845 1.688 . . . . 0.0 114.303 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.27 164.12 53.9 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-N 118.382 1.091 . . . . 0.0 114.273 -177.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t -143.65 161.11 39.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.93 1.692 . . . . 0.0 111.933 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.5 174.8 52.07 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.344 0.974 . . . . 0.0 115.055 -176.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.4 -11.8 83.79 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.944 1.259 . . . . 0.0 114.763 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.48 17.04 11.78 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.343 1.449 . . . . 0.0 114.779 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.0 t -68.88 159.2 33.01 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.716 1.258 . . . . 0.0 111.987 172.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.9 tpt -61.96 -26.66 68.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.766 0.826 . . . . 0.0 112.507 174.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -71.23 -31.57 67.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.082 0.953 . . . . 0.0 113.018 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -71.72 -47.33 54.58 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.73 0.812 . . . . 0.0 111.186 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -63.58 -38.93 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.37 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -58.44 -49.08 78.59 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.822 1.192 . . . . 0.0 111.545 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -63.57 -49.67 72.48 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.931 0.787 . . . . 0.0 112.502 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.02 -46.84 82.66 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.716 0.689 . . . . 0.0 112.019 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.46 -33.29 62.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 122.933 0.493 . . . . 0.0 112.305 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.38 -42.42 83.41 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.971 0.805 . . . . 0.0 112.414 170.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -64.58 -41.48 96.24 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.383 1.073 . . . . 0.0 111.544 178.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 t -62.45 -46.61 87.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.257 1.023 . . . . 0.0 112.897 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.81 -38.72 89.18 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.166 -0.959 . . . . 0.0 112.78 175.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.7 m -59.91 -41.75 92.39 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.106 -0.996 . . . . 0.0 112.061 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.66 -32.74 73.63 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.321 -0.862 . . . . 0.0 113.009 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -56.68 -49.26 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 121.378 -0.826 . . . . 0.0 109.788 171.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.19 -36.88 84.23 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.027 0.931 . . . . 0.0 113.036 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -61.86 -45.48 93.6 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.193 0.906 . . . . 0.0 112.404 173.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.54 -40.16 80.81 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.436 0.695 . . . . 0.0 112.073 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -65.52 -39.71 92.14 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.869 0.759 . . . . 0.0 112.053 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.29 96.89 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.477 0.711 . . . . 0.0 112.142 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.7 91.68 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -61.79 -45.1 95.31 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.372 1.069 . . . . 0.0 111.459 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -64.54 -43.8 92.83 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.506 -0.746 . . . . 0.0 112.285 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.54 99.79 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.462 1.105 . . . . 0.0 113.106 -177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 pp -71.47 -39.53 70.86 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.378 -0.826 . . . . 0.0 111.376 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.25 -44.86 90.49 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.274 -0.891 . . . . 0.0 112.013 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -11.91 60.2 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.0 -29.05 18.7 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.431 1.092 . . . . 0.0 113.367 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.93 -10.58 52.95 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -174.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.73 13.28 3.27 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -173.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 124.651 1.18 . . . . 0.0 114.09 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 CA-C-O 119.624 -0.542 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.54 152.47 68.0 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 123.998 3.132 . . . . 0.0 114.558 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 170.39 -161.77 34.83 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.466 1.032 . . . . 0.0 113.239 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 86.9 p -149.7 160.76 43.26 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.084 1.353 . . . . 0.0 112.103 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -76.47 -5.76 48.85 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 -175.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -77.3 4.02 11.67 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.07 -27.29 66.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.712 1.605 . . . . 0.0 113.911 171.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.28 21.03 2.98 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.639 1.575 . . . . 0.0 114.36 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.77 149.13 33.36 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 124.453 1.101 . . . . 0.0 112.756 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.98 170.4 19.85 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.404 2.736 . . . . 0.0 114.044 -168.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 tp -55.61 -37.39 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.278 1.431 . . . . 0.0 113.225 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -66.59 -39.34 88.37 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.922 0.889 . . . . 0.0 112.158 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.95 -48.84 42.29 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.985 0.914 . . . . 0.0 112.067 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.76 -33.08 74.85 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.802 1.183 . . . . 0.0 112.734 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.9 t -61.67 -48.62 79.97 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.959 0.903 . . . . 0.0 111.755 168.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.94 80.86 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.55 -1.344 . . . . 0.0 113.021 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.7 -51.85 56.09 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.528 1.131 . . . . 0.0 112.042 175.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.75 -33.52 76.16 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.419 1.463 . . . . 0.0 112.465 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -62.24 -54.5 39.96 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.928 0.891 . . . . 0.0 111.588 174.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.91 -26.14 63.08 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -61.94 -42.43 99.09 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.17 -0.956 . . . . 0.0 111.948 169.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 73.0 mtm -76.04 -6.21 50.01 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.713 1.205 . . . . 0.0 114.169 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.26 10.79 77.06 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.96 1.267 . . . . 0.0 114.947 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -72.16 144.91 48.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.99 1.395 . . . . 0.0 111.03 172.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -78.63 57.45 2.03 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.268 1.427 . . . . 0.0 112.694 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 65.86 -149.73 51.61 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.696 1.141 . . . . 0.0 113.634 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -177.56 173.6 46.25 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.651 1.12 . . . . 0.0 113.869 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -72.73 148.25 41.41 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.584 1.088 . . . . 0.0 113.245 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 79.3 p -79.7 -13.05 59.74 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.012 1.325 . . . . 0.0 113.803 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.63 -167.19 28.78 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.001 1.286 . . . . 0.0 114.601 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.67 -176.67 53.47 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 124.539 1.066 . . . . 0.0 114.601 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.12 4.55 0.49 Allowed Glycine 0 CA--C 1.542 1.733 0 C-N-CA 125.939 1.733 . . . . 0.0 115.175 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 58.9 m -73.47 166.45 23.2 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.972 1.386 . . . . 0.0 112.096 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -37.08 68.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.23 1.012 . . . . 0.0 113.0 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -64.36 -28.29 69.6 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -79.76 -45.2 19.29 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.145 -0.972 . . . . 0.0 110.924 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.16 -38.94 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.613 0.765 . . . . 0.0 111.985 172.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -58.9 -49.77 76.54 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.488 1.04 . . . . 0.0 111.667 172.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.71 -48.63 79.87 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.321 0.964 . . . . 0.0 112.964 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.01 -53.05 62.75 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.793 0.837 . . . . 0.0 112.477 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.38 -35.15 65.88 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.56 74.77 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.614 0.643 . . . . 0.0 112.61 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.9 -44.01 81.89 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.177 0.899 . . . . 0.0 111.556 174.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 22.2 t -58.95 -43.35 91.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.891 0.477 . . . . 0.0 112.273 173.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.17 -42.39 99.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.304 1.041 . . . . 0.0 112.295 172.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 70.8 m -60.17 -39.54 86.8 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.855 -1.153 . . . . 0.0 111.798 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -65.64 -32.97 74.83 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.441 1.019 . . . . 0.0 112.686 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.78 -50.02 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.694 1.134 . . . . 0.0 109.493 169.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.33 -42.33 95.4 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.948 0.899 . . . . 0.0 112.229 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -59.0 -46.81 87.25 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.258 0.936 . . . . 0.0 112.187 175.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.87 -35.31 62.31 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -62.33 -40.83 97.67 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.002 0.819 . . . . 0.0 111.689 170.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.69 85.45 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.87 89.99 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.412 -0.805 . . . . 0.0 112.137 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -63.24 -41.85 99.12 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.827 0.851 . . . . 0.0 111.426 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.04 -44.99 94.34 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.292 -0.88 . . . . 0.0 112.405 172.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -63.44 -36.04 82.42 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.67 -32.78 47.26 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 172.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.25 -40.23 95.51 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.86 -1.15 . . . . 0.0 112.023 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.82 -3.69 39.71 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -103.92 -40.81 6.08 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.26 1.424 . . . . 0.0 113.777 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -69.81 -12.34 61.55 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -71.03 -11.66 61.09 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.629 1.572 . . . . 0.0 113.103 179.571 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 CA-C-O 119.23 -0.761 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -60.0 163.18 14.57 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 124.487 3.458 . . . . 0.0 114.325 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.77 -173.89 21.96 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.581 1.086 . . . . 0.0 114.117 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.2 t -70.63 165.11 23.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.74 1.216 . . . . 0.0 113.507 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -123.91 167.54 13.98 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.767 2.027 . . . . 0.0 112.232 -175.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.82 36.69 0.17 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.607 1.563 . . . . 0.0 113.745 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.86 115.77 16.94 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.131 1.772 . . . . 0.0 111.844 -175.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.37 23.64 9.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.273 2.229 . . . . 0.0 116.114 169.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.04 155.44 87.14 Favored Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.516 1.126 . . . . 0.0 112.393 171.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -66.25 160.24 46.04 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.227 2.618 . . . . 0.0 113.932 -170.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.6 tp -59.54 -37.25 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.155 0.982 . . . . 0.0 113.061 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -69.57 -29.59 67.19 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -72.39 -52.41 16.15 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.91 0.884 . . . . 0.0 111.272 177.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.89 -30.87 71.54 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.282 -0.887 . . . . 0.0 112.857 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -66.95 -33.06 74.75 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.321 1.048 . . . . 0.0 112.674 170.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.96 -33.34 61.9 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.078 -1.638 . . . . 0.0 112.942 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.15 -46.23 78.19 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.077 0.951 . . . . 0.0 111.452 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.33 -33.06 74.98 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.734 1.152 . . . . 0.0 112.54 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -66.04 -50.26 64.82 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.068 0.849 . . . . 0.0 112.48 173.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -72.87 -27.19 61.77 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -66.34 -34.44 77.98 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.084 -1.01 . . . . 0.0 111.927 167.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.2 mtm -80.62 3.64 21.24 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.313 1.445 . . . . 0.0 113.801 169.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.19 7.63 88.34 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.801 1.667 . . . . 0.0 115.902 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -80.72 148.19 30.25 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.178 1.489 . . . . 0.0 112.873 177.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -85.65 -6.99 59.08 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.55 176.42 52.38 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.815 1.197 . . . . 0.0 114.297 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.3 168.05 41.08 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.659 1.123 . . . . 0.0 113.325 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.85 -155.32 53.51 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 123.85 0.738 . . . . 0.0 114.663 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.1 m 54.59 47.94 21.5 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.088 1.355 . . . . 0.0 113.262 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.62 152.73 11.57 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.622 1.106 . . . . 0.0 113.749 174.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.15 110.82 3.68 Favored Glycine 0 CA--C 1.539 1.55 0 O-C-N 121.963 -0.727 . . . . 0.0 114.702 -166.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.58 -10.38 44.2 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.489 1.518 . . . . 0.0 115.18 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -151.17 165.12 34.87 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.103 1.761 . . . . 0.0 111.057 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.8 mmt -54.73 -39.7 68.51 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -172.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.27 -28.37 69.68 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -82.22 -45.05 15.57 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.488 1.115 . . . . 0.0 111.34 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.66 -40.43 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.584 0.753 . . . . 0.0 111.668 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.37 -50.74 72.79 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.899 0.772 . . . . 0.0 111.679 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -69.28 -39.19 78.51 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.36 -46.62 87.85 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.197 0.908 . . . . 0.0 111.841 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 tp -74.48 -30.69 61.93 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.309 0.644 . . . . 0.0 112.719 -176.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.66 83.2 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.424 -0.798 . . . . 0.0 112.606 170.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -63.83 -45.48 89.39 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.765 0.826 . . . . 0.0 112.247 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.1 p -66.06 -39.53 90.16 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.73 -41.9 98.25 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.936 -1.102 . . . . 0.0 111.991 172.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.3 m -59.83 -41.55 91.6 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.547 -0.721 . . . . 0.0 111.597 176.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -64.35 -35.3 80.42 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.278 -0.889 . . . . 0.0 113.082 177.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.51 -49.65 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.428 1.013 . . . . 0.0 109.571 172.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -59.37 -43.59 92.84 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.44 0.696 . . . . 0.0 112.315 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -60.75 -47.57 85.68 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.245 1.018 . . . . 0.0 112.704 175.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.28 -45.62 83.73 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.26 -42.14 99.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.762 0.825 . . . . 0.0 111.59 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.82 90.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.567 0.747 . . . . 0.0 112.362 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.38 92.48 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.536 -0.727 . . . . 0.0 112.657 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -61.2 -45.56 94.08 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.732 1.213 . . . . 0.0 111.12 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -63.38 -43.92 96.22 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.425 0.69 . . . . 0.0 112.323 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.85 91.52 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 pp -75.82 -37.97 58.58 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.635 0.652 . . . . 0.0 112.044 176.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -64.19 -35.21 80.06 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.507 -0.746 . . . . 0.0 112.874 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -77.48 -27.01 51.85 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 174.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.7 -40.18 56.19 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.302 -0.874 . . . . 0.0 112.457 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -89.22 19.3 4.41 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.89 1.676 . . . . 0.0 113.865 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -91.21 -10.84 40.19 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 116.901 2.185 . . . . 0.0 116.901 -168.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 C--O 1.255 1.353 0 C-N-CA 125.257 1.423 . . . . 0.0 113.041 177.469 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.421 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -56.03 139.19 84.62 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 123.235 2.623 . . . . 0.0 112.567 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.31 7.73 82.75 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.893 1.117 . . . . 0.0 115.893 -176.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 90.4 p -144.64 -45.05 0.24 Allowed 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 119.468 1.634 . . . . 0.0 113.197 176.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 58.74 -177.76 0.08 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.174 2.189 . . . . 0.0 115.207 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -79.47 10.15 4.13 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.743 1.217 . . . . 0.0 114.228 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.65 -19.37 38.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.71 2.004 . . . . 0.0 115.619 -177.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.65 7.08 31.58 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.73 155.36 70.65 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 123.684 0.794 . . . . 0.0 110.509 166.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -61.6 148.79 92.18 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.887 2.392 . . . . 0.0 113.957 -169.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.9 tt -60.33 -35.73 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -168.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.75 -33.05 74.34 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.95 -57.42 5.04 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.733 0.813 . . . . 0.0 110.984 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.27 -29.52 70.83 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.33 0.968 . . . . 0.0 113.191 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 33.6 t -73.83 -35.2 64.8 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.915 0.886 . . . . 0.0 112.673 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.01 -31.54 58.97 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.073 -1.017 . . . . 0.0 112.616 172.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mp -62.7 -46.94 85.8 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.242 -0.911 . . . . 0.0 111.794 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.81 -35.8 82.27 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.388 0.994 . . . . 0.0 112.454 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -68.09 -41.18 82.24 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.762 0.825 . . . . 0.0 111.875 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -68.41 -32.96 73.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.835 0.854 . . . . 0.0 113.236 173.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -67.05 -25.67 66.37 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.637 -1.289 . . . . 0.0 113.102 170.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 36.3 mtt -87.09 -0.51 56.78 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.919 1.688 . . . . 0.0 112.972 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 84.85 10.38 79.06 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.467 1.508 . . . . 0.0 116.118 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -82.0 101.34 10.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.201 1.5 . . . . 0.0 111.505 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.12 -11.4 60.86 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.96 2.09 81.96 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 125.076 1.322 . . . . 0.0 115.115 174.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -60.64 134.39 49.74 Favored Glycine 0 CA--C 1.543 1.838 0 CA-C-N 118.652 1.226 . . . . 0.0 114.27 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 169.96 165.75 27.83 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.858 1.694 . . . . 0.0 112.346 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 8.4 t 57.12 -168.9 0.11 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.108 1.363 . . . . 0.0 113.336 -174.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -161.26 169.8 36.9 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.043 1.306 . . . . 0.0 114.205 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -74.34 162.91 54.34 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.038 1.304 . . . . 0.0 114.928 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -143.08 10.53 2.29 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.078 1.323 . . . . 0.0 115.622 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 21.3 t -154.62 166.5 33.17 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.364 1.465 . . . . 0.0 111.218 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -39.72 78.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.006 1.322 . . . . 0.0 113.179 -174.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -68.06 -27.63 66.68 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.418 -0.801 . . . . 0.0 112.63 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -72.46 -51.69 19.08 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.294 -0.879 . . . . 0.0 110.953 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.6 tt -63.97 -38.03 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.078 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -57.89 -45.11 86.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.184 1.357 . . . . 0.0 112.476 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -68.86 -47.02 66.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.493 0.588 . . . . 0.0 111.865 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 61.6 tp -67.18 -41.39 85.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.535 1.134 . . . . 0.0 113.32 -174.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.8 tp -79.25 -22.83 44.23 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.599 1.16 . . . . 0.0 112.732 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.88 -32.6 61.91 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.237 -0.914 . . . . 0.0 113.169 168.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -62.72 -42.48 99.67 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.894 1.278 . . . . 0.0 112.753 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 65.8 p -65.96 -45.47 81.62 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.183 0.593 . . . . 0.0 111.968 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.03 -38.31 82.37 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.803 1.241 . . . . 0.0 112.517 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.4 m -60.24 -40.65 91.0 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.97 0.908 . . . . 0.0 111.776 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -73.28 -33.38 65.19 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.045 -1.034 . . . . 0.0 112.735 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 96.2 mt -57.83 -50.22 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.899 0.88 . . . . 0.0 110.267 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -61.27 -42.48 98.7 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.182 0.993 . . . . 0.0 112.195 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -59.13 -47.47 85.16 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.996 1.318 . . . . 0.0 112.082 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.84 -45.72 84.92 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.411 0.684 . . . . 0.0 112.786 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -61.53 -41.72 97.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.269 0.628 . . . . 0.0 111.957 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.67 91.79 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.663 0.785 . . . . 0.0 112.493 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.24 91.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -63.13 -42.99 99.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.451 1.1 . . . . 0.0 111.515 177.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -66.63 -38.4 86.85 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.07 -1.018 . . . . 0.0 112.925 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.86 81.8 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.301 0.64 . . . . 0.0 112.086 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.79 -28.99 65.06 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.18 -37.62 87.96 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.13 0.877 . . . . 0.0 111.473 172.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -76.23 -39.3 54.89 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.729 0.812 . . . . 0.0 112.68 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.23 77.59 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.181 -0.949 . . . . 0.0 113.152 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -82.76 -6.67 59.52 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.237 1.415 . . . . 0.0 114.454 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.15 -4.71 57.54 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -163.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 . . . . . 0 C--O 1.254 1.308 0 C-N-CA 125.493 1.517 . . . . 0.0 112.221 170.475 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 CA-C-O 119.824 -0.431 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -64.86 -25.99 59.9 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.793 2.996 . . . . 0.0 115.494 -174.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.19 -147.03 49.29 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.155 0.883 . . . . 0.0 113.637 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 t -80.37 -4.17 52.49 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -80.18 46.77 0.84 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.223 1.809 . . . . 0.0 114.077 -170.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -63.07 140.92 58.92 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.204 -0.935 . . . . 0.0 111.458 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.47 161.49 42.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.601 1.56 . . . . 0.0 110.882 -171.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 60.27 9.66 2.03 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.54 2.336 . . . . 0.0 115.715 -173.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.53 159.45 51.3 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 126.154 1.782 . . . . 0.0 111.171 159.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -62.76 156.6 52.42 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.942 2.428 . . . . 0.0 114.094 -172.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.8 tt -61.42 -35.6 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.538 1.135 . . . . 0.0 113.53 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.87 -32.76 74.24 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.685 -0.634 . . . . 0.0 111.697 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -72.56 -50.11 27.8 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.306 -0.871 . . . . 0.0 111.969 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.74 -33.08 75.03 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.556 1.071 . . . . 0.0 112.85 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.1 t -61.85 -47.98 82.59 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.889 0.876 . . . . 0.0 111.912 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.0 79.37 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.236 -0.915 . . . . 0.0 112.358 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.18 -52.41 62.48 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.271 1.028 . . . . 0.0 111.44 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.84 -35.95 81.65 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.236 1.38 . . . . 0.0 111.989 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mtm105 -71.75 -37.59 70.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.82 0.848 . . . . 0.0 112.501 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -70.25 -28.79 65.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.847 0.859 . . . . 0.0 113.301 171.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.9 -30.29 71.28 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.951 1.251 . . . . 0.0 111.856 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.2 mtm -85.43 -1.81 57.44 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.968 1.307 . . . . 0.0 114.188 168.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.43 18.67 69.93 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.842 1.21 . . . . 0.0 114.621 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -100.54 124.49 46.16 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.301 1.44 . . . . 0.0 112.189 -170.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -81.44 -13.51 58.14 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.882 1.273 . . . . 0.0 113.963 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.04 -152.24 14.17 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.208 1.385 . . . . 0.0 113.96 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.18 179.33 52.51 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.155 1.359 . . . . 0.0 114.63 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.27 168.69 50.44 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.286 0.946 . . . . 0.0 114.1 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.7 t -149.37 141.12 23.59 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.245 1.418 . . . . 0.0 111.289 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.53 -47.44 1.76 Allowed Glycine 0 CA--C 1.541 1.699 0 C-N-CA 125.797 1.665 . . . . 0.0 114.135 -175.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.92 -158.5 51.67 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.916 1.246 . . . . 0.0 114.517 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.07 -17.0 41.96 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.297 1.427 . . . . 0.0 116.028 172.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 t -82.94 154.46 24.54 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.613 1.706 . . . . 0.0 111.476 166.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.7 tpt -65.83 -20.44 66.25 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.095 0.958 . . . . 0.0 113.209 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -79.67 -25.64 41.24 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -72.01 -45.03 62.44 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.464 -0.773 . . . . 0.0 111.228 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 tt -60.42 -40.38 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.736 0.814 . . . . 0.0 111.737 170.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -34.65 73.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.288 0.949 . . . . 0.0 112.201 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -82.51 -53.54 5.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.444 1.098 . . . . 0.0 112.562 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.57 -41.14 89.01 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.516 0.726 . . . . 0.0 112.368 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 tp -71.07 -33.81 70.59 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.701 -0.625 . . . . 0.0 111.973 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.82 87.59 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.703 0.801 . . . . 0.0 112.546 170.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -59.16 -45.5 90.83 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.298 1.839 . . . . 0.0 111.09 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -65.69 -45.29 83.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.312 1.045 . . . . 0.0 112.8 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.31 -39.42 86.94 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.427 1.091 . . . . 0.0 112.174 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.9 m -61.48 -38.02 85.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.578 -0.702 . . . . 0.0 112.187 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -66.25 -33.38 75.62 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.134 -0.979 . . . . 0.0 113.176 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.85 -47.39 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 118.642 0.655 . . . . 0.0 109.669 171.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -61.28 -40.58 94.64 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.6 0.76 . . . . 0.0 112.364 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -58.75 -50.9 72.23 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.331 0.969 . . . . 0.0 112.151 173.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.38 -47.73 82.87 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.828 0.851 . . . . 0.0 111.91 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -64.85 -40.5 95.26 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.436 0.694 . . . . 0.0 112.287 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.67 95.82 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.604 0.638 . . . . 0.0 112.443 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.73 90.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.333 0.653 . . . . 0.0 112.298 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -65.26 -43.85 90.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.218 1.007 . . . . 0.0 111.071 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -63.24 -38.29 90.6 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.396 -0.815 . . . . 0.0 112.849 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.33 -49.62 47.52 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.075 0.95 . . . . 0.0 113.122 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.42 -30.72 71.75 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.56 0.618 . . . . 0.0 112.415 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.79 -20.24 63.38 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -88.98 -36.05 16.07 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.535 1.134 . . . . 0.0 111.904 171.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.87 -33.47 75.67 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.601 1.161 . . . . 0.0 113.447 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -71.0 -9.59 58.28 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -127.91 3.08 5.97 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.093 1.757 . . . . 0.0 114.823 -174.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 125.574 1.55 . . . . 0.0 113.977 -179.883 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 CA-C-O 118.969 -0.906 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.86 -17.2 22.86 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 124.018 3.145 . . . . 0.0 114.899 -171.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.28 3.2 81.63 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.123 0.868 . . . . 0.0 115.147 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 80.2 p -81.05 14.04 2.47 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.847 2.059 . . . . 0.0 114.454 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -60.48 151.29 28.75 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.815 1.646 . . . . 0.0 114.433 -174.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -79.58 48.75 0.95 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.31 1.844 . . . . 0.0 113.76 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.51 -22.76 20.21 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.39 5.55 41.64 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -173.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.92 158.22 17.5 Favored Pre-proline 0 CA--C 1.557 1.212 0 C-N-CA 125.949 1.7 . . . . 0.0 112.916 171.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.1 166.3 23.52 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.684 2.923 . . . . 0.0 114.519 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 20.7 tt -56.23 -38.36 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.991 1.716 . . . . 0.0 114.327 -173.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -67.95 -28.92 67.88 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.458 -0.776 . . . . 0.0 112.534 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -78.95 -54.87 5.6 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.679 0.792 . . . . 0.0 111.387 175.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.9 pp -61.56 -32.93 73.03 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.845 -1.16 . . . . 0.0 112.955 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 31.5 t -68.61 -27.18 65.8 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.906 1.282 . . . . 0.0 113.128 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.15 -30.23 21.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.384 1.074 . . . . 0.0 113.194 169.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.27 -41.03 97.1 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.356 -0.84 . . . . 0.0 111.586 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -59.59 -39.4 84.03 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.535 1.061 . . . . 0.0 111.962 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -68.98 -40.22 78.94 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.807 1.243 . . . . 0.0 112.359 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.1 -31.82 72.55 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -70.78 -30.35 66.8 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 120.814 -1.179 . . . . 0.0 112.939 169.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 32.6 mtt -78.02 -5.22 50.65 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.18 1.392 . . . . 0.0 113.261 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.48 6.05 64.61 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 126.09 1.805 . . . . 0.0 116.032 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -78.9 168.77 19.22 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.986 1.315 . . . . 0.0 112.173 173.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -70.84 -30.99 67.55 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.392 -1.443 . . . . 0.0 114.433 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 156.6 -75.65 0.21 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.352 0.977 . . . . 0.0 113.676 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 73.45 -75.43 1.01 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.655 1.121 . . . . 0.0 113.989 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.35 -1.32 71.42 Favored Glycine 0 CA--C 1.541 1.686 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 175.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 35.7 t -81.35 131.07 35.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.185 1.493 . . . . 0.0 111.083 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -174.67 -24.57 0.03 OUTLIER Glycine 0 CA--C 1.543 1.82 0 C-N-CA 127.543 2.497 . . . . 0.0 115.074 -3.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.65 -147.6 45.48 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 118.632 1.216 . . . . 0.0 113.868 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.12 -70.26 3.15 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.857 1.218 . . . . 0.0 113.286 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 71.4 m -69.1 146.17 52.79 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.394 0.678 . . . . 0.0 111.442 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -40.5 80.39 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.206 1.002 . . . . 0.0 112.976 -172.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -67.97 -26.57 65.99 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -80.72 -42.77 21.35 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.64 -1.287 . . . . 0.0 112.243 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 11.0 tt -61.32 -38.89 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.168 0.894 . . . . 0.0 111.203 170.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.78 -51.18 71.08 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.967 0.803 . . . . 0.0 111.921 172.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -62.3 -48.28 80.59 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.722 0.692 . . . . 0.0 112.659 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.36 -44.54 97.0 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.966 0.803 . . . . 0.0 111.326 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.3 tp -72.79 -34.57 67.01 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.98 75.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.192 0.997 . . . . 0.0 113.394 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -63.76 -46.58 84.65 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.884 1.274 . . . . 0.0 111.75 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 70.1 m -65.51 -41.96 92.62 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.556 0.742 . . . . 0.0 112.863 172.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.14 -39.96 92.01 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.264 0.938 . . . . 0.0 112.321 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 85.4 m -61.18 -42.32 98.36 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.325 -0.859 . . . . 0.0 111.734 173.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -69.54 -32.95 72.07 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.1 -51.76 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.406 1.003 . . . . 0.0 109.915 168.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.06 -40.19 94.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.379 1.072 . . . . 0.0 112.573 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -58.82 -49.36 77.99 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.528 1.131 . . . . 0.0 111.836 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.23 -39.22 82.39 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -60.1 -45.4 93.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.363 0.665 . . . . 0.0 112.319 172.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.34 98.91 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.768 0.713 . . . . 0.0 112.29 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.35 87.9 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.454 0.701 . . . . 0.0 112.835 176.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -65.86 -42.32 90.58 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.641 0.777 . . . . 0.0 111.707 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -64.63 -39.55 93.9 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.844 -1.16 . . . . 0.0 112.395 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.0 83.79 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.713 0.805 . . . . 0.0 112.706 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.99 -30.71 68.11 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.667 0.667 . . . . 0.0 112.326 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.29 -42.1 93.45 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.402 1.001 . . . . 0.0 112.298 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -74.1 -29.83 62.04 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 176.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -72.21 -31.77 66.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.096 0.958 . . . . 0.0 113.314 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -103.26 16.86 25.47 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.508 1.923 . . . . 0.0 113.896 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 46.7 ttt85 -72.71 60.84 0.51 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 128.055 2.542 . . . . 0.0 114.228 -172.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 125.391 1.477 . . . . 0.0 113.218 171.314 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.446 0 CA-C-O 118.764 -1.02 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -69.41 163.6 37.36 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 124.077 3.185 . . . . 0.0 112.843 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.74 -138.74 46.6 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.373 0.987 . . . . 0.0 113.715 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p -75.48 44.54 0.27 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.495 1.918 . . . . 0.0 113.33 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 62.98 172.48 0.15 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 128.032 2.533 . . . . 0.0 114.905 -173.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -68.72 170.64 9.04 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.194 0.997 . . . . 0.0 111.929 166.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 67.48 131.8 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 127.95 2.5 . . . . 0.0 115.527 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.62 21.88 2.78 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.902 2.081 . . . . 0.0 115.918 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.3 148.5 98.73 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.517 1.127 . . . . 0.0 111.307 174.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -70.45 162.12 43.58 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.782 2.322 . . . . 0.0 112.389 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.6 tt -61.35 -28.55 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -63.34 -35.65 81.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.423 0.689 . . . . 0.0 112.182 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -74.2 -48.91 25.91 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.827 0.851 . . . . 0.0 112.037 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.27 -31.91 71.7 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.218 0.917 . . . . 0.0 112.349 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.9 t -62.35 -45.39 93.42 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.824 0.85 . . . . 0.0 112.088 167.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.33 -35.89 81.88 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.834 -1.166 . . . . 0.0 112.661 174.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.9 -46.18 79.27 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.241 -0.912 . . . . 0.0 112.096 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.1 -36.05 82.77 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.223 1.374 . . . . 0.0 112.183 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -65.75 -45.98 80.54 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.455 1.102 . . . . 0.0 111.641 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -68.69 -35.54 77.32 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.369 1.067 . . . . 0.0 113.398 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -66.24 -27.44 67.97 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.052 -1.03 . . . . 0.0 113.389 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.4 mtt -86.47 -5.41 59.16 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.698 1.199 . . . . 0.0 113.925 171.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.42 18.5 79.11 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.943 1.259 . . . . 0.0 114.791 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -71.52 156.64 39.2 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.904 1.352 . . . . 0.0 113.205 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.28 -29.15 68.67 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -170.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.75 -168.24 40.53 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 115.098 0.799 . . . . 0.0 115.098 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.5 -176.1 28.25 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.468 1.509 . . . . 0.0 114.765 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.23 168.11 40.25 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.656 1.122 . . . . 0.0 113.983 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.8 m -67.04 154.81 40.28 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.739 1.216 . . . . 0.0 113.72 -176.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.34 160.34 32.98 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.81 1.671 . . . . 0.0 112.408 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.83 -0.54 25.77 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.198 1.38 . . . . 0.0 114.891 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.63 22.17 78.66 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 118.222 1.011 . . . . 0.0 113.217 -169.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.7 t -68.62 158.98 32.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.529 1.132 . . . . 0.0 112.362 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 tpt -63.12 -21.69 66.35 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.86 0.864 . . . . 0.0 112.741 169.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -74.64 -39.57 62.01 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.895 0.878 . . . . 0.0 112.191 170.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -64.66 -42.2 95.57 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.424 0.69 . . . . 0.0 111.686 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.16 -42.7 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.353 0.661 . . . . 0.0 112.364 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -62.33 -43.38 98.96 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.248 0.931 . . . . 0.0 111.599 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.28 -52.09 66.18 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.358 0.663 . . . . 0.0 112.203 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.29 -41.68 98.71 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.435 0.694 . . . . 0.0 112.433 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.7 tp -77.31 -34.33 55.41 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.656 -0.652 . . . . 0.0 112.39 -174.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.44 77.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.899 0.88 . . . . 0.0 112.65 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -56.49 -46.36 80.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.999 1.72 . . . . 0.0 110.904 174.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -64.42 -46.62 82.41 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 173.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.65 -40.71 95.88 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.914 0.886 . . . . 0.0 112.672 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.3 m -61.46 -38.35 86.92 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.263 -0.898 . . . . 0.0 111.849 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.06 -32.71 74.08 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.161 -0.962 . . . . 0.0 113.297 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.26 -47.98 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.356 0.662 . . . . 0.0 109.971 172.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.29 -39.09 93.22 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.644 1.178 . . . . 0.0 112.802 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -58.85 -47.56 84.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.216 1.006 . . . . 0.0 111.862 172.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.11 -46.85 82.36 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.333 0.653 . . . . 0.0 111.624 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.15 -40.75 97.03 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.694 0.798 . . . . 0.0 112.72 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.82 88.74 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.556 0.616 . . . . 0.0 112.019 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.57 -47.6 75.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.659 0.784 . . . . 0.0 112.183 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -57.69 -48.51 79.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.348 1.459 . . . . 0.0 111.559 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -64.27 -42.14 96.59 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.616 0.766 . . . . 0.0 112.333 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.54 -42.0 59.59 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -174.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.78 -28.19 68.19 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -176.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.46 -25.02 67.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.892 0.877 . . . . 0.0 113.177 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -89.1 -39.72 13.43 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.079 0.952 . . . . 0.0 112.439 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.2 -23.71 64.21 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -173.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -96.8 2.02 51.39 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.287 1.835 . . . . 0.0 114.259 -175.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 -132.91 3.59 3.76 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.702 1.601 . . . . 0.0 114.988 -175.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 . . . . . 0 C--O 1.255 1.395 0 C-N-CA 125.243 1.417 . . . . 0.0 112.911 -167.103 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -58.84 156.63 32.1 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 124.32 3.347 . . . . 0.0 114.62 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.77 14.94 79.63 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.185 0.898 . . . . 0.0 115.08 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 77.7 p -69.98 156.95 38.38 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.892 1.677 . . . . 0.0 113.554 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 61.38 171.79 0.11 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 127.359 2.264 . . . . 0.0 116.315 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 48.8 p-10 -73.22 -179.94 3.59 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.826 1.25 . . . . 0.0 111.589 163.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . 62.76 3.32 1.14 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.981 2.112 . . . . 0.0 116.523 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -140.67 24.97 2.2 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.63 1.572 . . . . 0.0 113.35 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 pp -59.81 147.52 78.61 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.347 1.059 . . . . 0.0 111.004 170.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -73.03 164.82 34.48 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.282 2.655 . . . . 0.0 112.586 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.8 tt -58.63 -29.52 39.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -63.77 -36.37 83.66 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.425 0.69 . . . . 0.0 112.515 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -72.95 -49.92 26.49 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.302 0.641 . . . . 0.0 111.815 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.31 -32.17 73.42 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.223 0.92 . . . . 0.0 112.384 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 17.7 t -61.0 -47.98 83.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.196 0.998 . . . . 0.0 112.371 168.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.2 -33.97 77.26 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.134 -0.979 . . . . 0.0 112.365 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.17 -52.9 52.18 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.29 1.036 . . . . 0.0 111.828 174.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.68 -33.57 76.26 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.618 1.554 . . . . 0.0 112.62 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 47.1 mtm105 -68.74 -43.38 75.99 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.075 0.852 . . . . 0.0 112.897 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.39 -26.68 60.25 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.733 1.151 . . . . 0.0 112.825 176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -67.64 -37.46 82.48 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.052 -1.03 . . . . 0.0 112.519 169.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 73.3 mtm -74.59 -15.91 60.82 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 169.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.9 30.44 65.77 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.345 0.974 . . . . 0.0 114.192 -175.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -64.9 153.78 39.31 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.554 1.142 . . . . 0.0 113.692 -178.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.31 -9.98 59.05 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -171.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.92 -141.3 6.1 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 121.31 -0.868 . . . . 0.0 114.961 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.01 147.33 50.14 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.047 1.308 . . . . 0.0 114.15 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -85.95 174.99 48.24 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.608 1.099 . . . . 0.0 114.602 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 48.8 m -80.41 27.31 0.35 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.212 1.405 . . . . 0.0 113.47 174.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -71.21 159.62 53.91 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.322 1.439 . . . . 0.0 115.332 -174.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 155.91 -170.63 33.73 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.12 1.343 . . . . 0.0 113.155 -176.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -86.48 -11.22 72.13 Favored Glycine 0 CA--C 1.544 1.864 0 N-CA-C 116.102 1.201 . . . . 0.0 116.102 -174.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 49.5 m -84.99 155.66 21.47 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.437 1.619 . . . . 0.0 112.907 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -36.13 73.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.824 1.25 . . . . 0.0 112.681 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -64.16 -29.48 70.59 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.179 -0.95 . . . . 0.0 112.909 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -75.08 -43.84 50.83 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.96 0.904 . . . . 0.0 111.473 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 12.7 tt -66.92 -38.84 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.101 0.96 . . . . 0.0 112.088 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -56.24 -42.97 78.2 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.122 0.874 . . . . 0.0 111.473 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.73 -56.07 15.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.731 0.812 . . . . 0.0 111.893 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.46 -44.53 96.18 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.474 -0.766 . . . . 0.0 112.479 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.48 -36.53 71.18 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.208 0.603 . . . . 0.0 112.479 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.22 85.89 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -61.15 -50.76 71.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.496 0.718 . . . . 0.0 112.111 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 10.3 t -60.5 -40.2 90.48 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.22 -43.11 99.58 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.43 1.092 . . . . 0.0 112.512 172.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.1 m -61.35 -35.89 78.69 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.928 -1.107 . . . . 0.0 112.156 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -68.49 -32.88 73.16 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.448 -0.782 . . . . 0.0 112.764 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.3 -51.55 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 119.498 1.045 . . . . 0.0 109.84 170.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.36 -41.98 81.18 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.946 0.898 . . . . 0.0 111.822 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -63.16 -48.39 78.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.66 1.184 . . . . 0.0 112.192 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.15 -36.32 74.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -62.12 -43.15 99.46 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.751 0.705 . . . . 0.0 111.195 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.22 98.21 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.366 0.666 . . . . 0.0 112.585 174.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.85 96.9 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.524 0.73 . . . . 0.0 112.688 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -63.08 -43.26 99.03 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.41 1.084 . . . . 0.0 111.246 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -65.15 -36.32 83.87 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.859 0.864 . . . . 0.0 113.17 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.74 -43.84 52.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.959 0.904 . . . . 0.0 113.248 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.82 -28.39 68.96 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.213 -0.929 . . . . 0.0 112.33 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.2 -18.72 61.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.364 1.066 . . . . 0.0 113.301 172.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -93.81 -43.79 8.43 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.695 1.198 . . . . 0.0 111.171 170.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -68.09 -33.72 75.07 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -173.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -81.17 -6.21 58.58 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 36.7 ttm-85 -76.47 -7.1 54.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.704 2.002 . . . . 0.0 115.7 -171.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.242 1.817 . . . . 0.0 112.467 177.663 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.67 -24.31 25.66 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 123.912 3.075 . . . . 0.0 114.111 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.22 -158.94 27.86 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.947 1.26 . . . . 0.0 113.003 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.8 p -144.22 113.73 7.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.283 1.833 . . . . 0.0 109.461 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 63.5 171.29 0.16 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 131.211 3.804 . . . . 0.0 114.905 4.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -75.39 70.14 2.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.958 1.703 . . . . 0.0 113.026 -170.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.65 113.45 7.49 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.19 1.396 . . . . 0.0 111.568 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 50.55 29.35 3.98 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.112 2.165 . . . . 0.0 115.992 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.81 152.42 86.77 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.997 0.919 . . . . 0.0 112.448 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.72 167.64 22.35 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.527 2.818 . . . . 0.0 113.818 -169.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.5 tt -59.44 -35.96 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -66.16 -27.69 68.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.797 0.839 . . . . 0.0 112.798 175.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.5 -52.73 6.93 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.437 0.695 . . . . 0.0 112.014 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.13 -33.87 76.4 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.306 1.412 . . . . 0.0 113.234 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -68.49 -27.41 66.12 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.913 1.285 . . . . 0.0 113.417 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.89 -36.94 23.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.308 1.043 . . . . 0.0 112.168 170.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.63 -40.85 97.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.302 1.041 . . . . 0.0 112.157 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.32 -34.11 77.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.034 1.288 . . . . 0.0 112.649 176.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -70.08 -41.0 74.68 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.046 0.939 . . . . 0.0 111.543 172.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.15 -35.12 79.74 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.094 1.358 . . . . 0.0 112.744 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.43 -27.11 65.91 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.191 -0.943 . . . . 0.0 113.095 171.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.1 mtt -80.55 -6.88 58.89 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.882 1.273 . . . . 0.0 113.125 168.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.98 1.98 62.81 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.744 1.64 . . . . 0.0 115.656 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -87.05 74.51 9.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.229 1.412 . . . . 0.0 109.948 169.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -60.34 -26.39 66.54 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -165.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.5 -13.86 83.01 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.537 1.065 . . . . 0.0 115.377 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.53 -140.48 47.42 Favored Glycine 0 CA--C 1.541 1.675 0 CA-C-N 118.867 1.333 . . . . 0.0 113.577 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.82 -168.41 34.41 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.326 0.965 . . . . 0.0 113.731 174.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 t -69.62 161.46 29.6 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.267 1.027 . . . . 0.0 112.161 171.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.64 166.6 31.43 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.451 1.024 . . . . 0.0 114.348 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.82 8.85 64.76 Favored Glycine 0 CA--C 1.539 1.578 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.2 -0.25 88.62 Favored Glycine 0 CA--C 1.543 1.842 0 CA-C-N 118.821 1.31 . . . . 0.0 115.65 -174.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.8 t -155.47 159.77 40.06 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.786 2.034 . . . . 0.0 110.629 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.6 -31.37 66.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.694 0.797 . . . . 0.0 112.801 169.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -72.35 -27.14 62.22 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 173.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -79.26 -49.31 12.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.853 0.861 . . . . 0.0 111.588 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.2 tt -61.1 -38.13 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.028 0.931 . . . . 0.0 112.412 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.97 -43.59 94.98 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.188 0.904 . . . . 0.0 111.853 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -70.97 -45.71 63.61 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.732 -0.605 . . . . 0.0 112.117 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.41 -43.06 82.17 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.078 1.351 . . . . 0.0 113.101 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.45 -35.8 68.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.731 0.812 . . . . 0.0 111.879 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.92 83.34 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 172.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -59.97 -47.5 85.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.19 0.996 . . . . 0.0 111.709 171.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 t -60.46 -42.95 97.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.519 0.728 . . . . 0.0 111.958 175.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.7 -42.13 99.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.402 1.081 . . . . 0.0 113.012 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.9 m -61.79 -39.28 91.14 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.058 -1.026 . . . . 0.0 112.552 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -65.23 -30.18 71.04 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.964 -1.085 . . . . 0.0 113.043 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.01 -48.79 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.247 -0.908 . . . . 0.0 110.133 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -64.05 -37.09 86.18 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.408 1.083 . . . . 0.0 112.382 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -61.32 -43.39 98.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.387 1.075 . . . . 0.0 112.424 174.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.71 -45.91 77.24 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.959 0.504 . . . . 0.0 111.703 175.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.98 -36.41 83.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.524 0.73 . . . . 0.0 112.954 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.44 94.17 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.108 0.867 . . . . 0.0 112.04 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.31 84.81 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.604 0.762 . . . . 0.0 112.889 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -64.61 -43.58 93.29 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.441 1.097 . . . . 0.0 111.262 177.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.53 -35.94 82.35 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.79 -1.194 . . . . 0.0 112.754 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.07 85.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.967 0.907 . . . . 0.0 112.953 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.69 -37.31 56.35 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.193 0.906 . . . . 0.0 111.966 176.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.18 -41.7 97.25 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.773 1.169 . . . . 0.0 113.024 -174.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -72.93 -21.85 60.82 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.4 -42.87 9.53 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.745 1.218 . . . . 0.0 113.113 -178.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -84.27 -0.07 50.96 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.345 1.858 . . . . 0.0 114.554 -169.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -70.74 -4.99 26.63 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.889 2.076 . . . . 0.0 116.182 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 . . . . . 0 N--CA 1.484 1.259 0 C-N-CA 127.061 2.144 . . . . 0.0 112.496 176.222 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 CA-C-O 119.413 -0.659 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.38 156.29 41.91 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.915 3.076 . . . . 0.0 114.651 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.41 13.34 11.35 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.248 1.404 . . . . 0.0 115.319 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 20.3 m -58.3 133.59 55.82 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.327 1.451 . . . . 0.0 113.707 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -75.13 170.39 16.13 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.141 1.376 . . . . 0.0 112.895 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -72.1 4.98 3.02 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.253 1.421 . . . . 0.0 114.834 174.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -134.73 129.14 34.24 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.678 1.591 . . . . 0.0 110.318 -164.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 59.03 22.81 10.89 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.861 1.665 . . . . 0.0 115.143 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.63 159.61 41.75 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.548 1.539 . . . . 0.0 111.157 165.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -58.85 152.16 59.5 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.101 2.534 . . . . 0.0 113.956 -173.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 14.7 tt -64.68 -29.45 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -169.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -67.11 -31.79 72.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.574 0.75 . . . . 0.0 112.085 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -74.33 -49.25 23.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.059 0.944 . . . . 0.0 111.752 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.54 -32.5 73.32 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.498 -0.751 . . . . 0.0 112.731 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 28.2 t -63.53 -45.66 89.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.279 0.632 . . . . 0.0 111.976 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.82 77.31 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.319 -1.488 . . . . 0.0 112.848 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.7 mp -63.73 -48.21 77.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.635 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.98 -34.57 78.04 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.261 1.391 . . . . 0.0 112.526 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -61.71 -50.67 71.49 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.608 0.763 . . . . 0.0 111.34 171.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -66.7 -33.7 76.21 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -62.14 -33.29 74.2 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.238 0.926 . . . . 0.0 112.593 172.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 23.6 mtt -89.03 1.45 55.52 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.018 1.327 . . . . 0.0 113.439 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.68 18.37 73.9 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.569 1.08 . . . . 0.0 114.079 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -71.29 132.1 44.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.856 1.262 . . . . 0.0 111.594 -176.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.94 -18.55 62.0 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.738 1.215 . . . . 0.0 113.04 174.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.9 151.62 51.21 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.732 1.158 . . . . 0.0 113.552 175.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -156.19 37.53 0.6 Allowed Glycine 0 N--CA 1.473 1.14 0 C-N-CA 124.505 1.05 . . . . 0.0 113.741 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.16 164.03 33.35 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.529 1.062 . . . . 0.0 114.443 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 78.2 p -146.71 160.48 42.17 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.798 1.639 . . . . 0.0 112.439 -172.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 70.14 -143.95 38.64 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.26 0.933 . . . . 0.0 113.519 -178.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 74.5 -165.62 54.77 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.139 0.876 . . . . 0.0 113.323 -172.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 149.63 1.4 0.36 Allowed Glycine 0 CA--C 1.536 1.346 0 N-CA-C 115.729 1.052 . . . . 0.0 115.729 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 83.7 p -74.07 165.12 25.7 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.749 1.275 . . . . 0.0 112.031 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -33.92 68.92 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -172.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.57 -27.74 64.36 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.269 -0.894 . . . . 0.0 113.208 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -72.54 -48.35 40.97 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.088 -1.007 . . . . 0.0 110.86 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.2 tt -65.48 -40.61 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.06 0.944 . . . . 0.0 111.856 176.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -58.71 -50.14 74.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.797 1.18 . . . . 0.0 111.648 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.67 -50.64 70.39 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.803 0.728 . . . . 0.0 112.078 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.58 -43.87 92.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.048 0.84 . . . . 0.0 112.432 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.3 tp -75.95 -30.99 58.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.397 0.679 . . . . 0.0 112.205 -175.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.53 -42.04 75.18 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.458 -0.776 . . . . 0.0 112.21 170.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.86 -46.54 88.99 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.697 1.599 . . . . 0.0 112.049 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 53.6 p -68.2 -39.45 82.46 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.058 0.943 . . . . 0.0 112.999 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.45 -39.78 94.49 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.008 0.822 . . . . 0.0 112.13 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 85.5 m -63.72 -38.22 90.29 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.376 -0.827 . . . . 0.0 111.41 175.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -66.77 -33.8 76.43 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.179 -0.951 . . . . 0.0 113.267 175.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.41 -52.49 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 119.691 1.132 . . . . 0.0 110.009 168.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -58.33 -42.42 86.74 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.744 0.817 . . . . 0.0 111.903 -178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -61.15 -46.48 90.38 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.792 0.837 . . . . 0.0 112.771 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.09 -38.39 72.4 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -62.77 -43.15 99.56 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.294 0.638 . . . . 0.0 111.494 173.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.2 94.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.788 0.835 . . . . 0.0 113.088 174.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.8 -42.88 90.13 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.848 0.859 . . . . 0.0 112.607 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -63.36 -40.3 96.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.984 0.914 . . . . 0.0 111.447 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -66.47 -41.02 89.63 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.069 -1.019 . . . . 0.0 112.991 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.97 83.78 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.129 -0.982 . . . . 0.0 112.664 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.62 -28.41 65.9 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.628 -0.67 . . . . 0.0 112.466 176.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.49 -45.42 79.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.841 0.746 . . . . 0.0 111.09 173.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -63.42 -36.69 84.56 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.585 0.754 . . . . 0.0 112.6 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -69.13 -12.95 62.13 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -129.79 22.35 5.42 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.314 1.845 . . . . 0.0 112.933 -174.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -77.91 -15.81 58.72 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 127.025 2.13 . . . . 0.0 113.108 -169.498 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 CA-C-O 119.645 -0.531 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -58.99 152.25 59.87 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 124.622 3.548 . . . . 0.0 114.618 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.32 17.88 77.84 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.098 0.856 . . . . 0.0 114.941 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 p -62.37 138.49 58.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.702 1.201 . . . . 0.0 113.014 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.15 164.44 15.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.855 1.262 . . . . 0.0 112.87 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 56.19 28.46 13.17 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.633 1.973 . . . . 0.0 115.179 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.3 104.84 7.02 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.2 1.4 . . . . 0.0 112.503 -173.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.5 34.06 17.51 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.116 1.766 . . . . 0.0 114.977 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.91 154.23 77.12 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.91 1.284 . . . . 0.0 113.008 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.17 162.11 39.89 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.275 2.65 . . . . 0.0 113.104 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.11 -28.59 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -172.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -62.12 -35.07 77.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.487 0.715 . . . . 0.0 112.174 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -77.57 -50.62 12.18 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.704 0.802 . . . . 0.0 112.207 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.41 -32.57 74.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.472 1.033 . . . . 0.0 112.526 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.3 m -70.86 -33.84 71.04 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.041 0.536 . . . . 0.0 112.181 173.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.72 -35.5 72.75 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.167 -0.958 . . . . 0.0 112.865 170.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.44 -50.36 71.8 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.212 0.914 . . . . 0.0 111.527 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.28 -35.98 82.59 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.784 1.174 . . . . 0.0 112.71 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -67.56 -41.19 84.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.985 0.914 . . . . 0.0 112.244 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -70.64 -35.41 72.89 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.893 0.877 . . . . 0.0 112.898 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.94 -31.77 72.88 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.879 -1.138 . . . . 0.0 112.891 173.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.3 mtt -80.17 -7.38 58.92 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.397 1.079 . . . . 0.0 113.817 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.6 26.64 60.62 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.686 1.136 . . . . 0.0 114.735 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.21 159.22 26.9 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.721 1.26 . . . . 0.0 113.448 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -69.41 -12.44 61.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.674 1.19 . . . . 0.0 113.866 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -166.63 159.68 33.08 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.799 1.19 . . . . 0.0 112.922 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.8 -163.65 27.97 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.672 1.606 . . . . 0.0 114.905 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.28 -172.62 52.66 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.244 1.402 . . . . 0.0 115.096 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.4 p -157.04 171.94 19.56 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.107 1.763 . . . . 0.0 111.293 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.66 -175.61 33.87 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.455 1.026 . . . . 0.0 113.042 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.2 -134.41 23.03 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 123.845 0.736 . . . . 0.0 112.855 -175.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 157.26 5.85 0.07 OUTLIER Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.885 1.231 . . . . 0.0 115.423 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.1 p -74.44 169.06 18.47 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 118.672 1.236 . . . . 0.0 112.323 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -33.88 69.08 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.195 0.598 . . . . 0.0 112.275 171.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -68.16 -33.67 74.89 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.346 -0.846 . . . . 0.0 112.95 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -67.33 -47.83 69.32 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.577 -0.702 . . . . 0.0 111.786 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 tt -67.2 -39.23 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.457 0.703 . . . . 0.0 112.409 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.29 -48.37 80.69 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.109 0.868 . . . . 0.0 111.765 174.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.59 -50.65 68.58 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.313 0.506 . . . . 0.0 112.245 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.9 -46.6 89.98 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.752 0.706 . . . . 0.0 112.426 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.2 tp -74.84 -35.04 62.4 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.892 -0.505 . . . . 0.0 112.254 -173.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.58 85.19 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.465 -0.772 . . . . 0.0 112.765 170.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.51 -45.49 92.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.108 1.363 . . . . 0.0 111.631 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -60.16 -45.46 92.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.537 0.735 . . . . 0.0 112.521 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.05 -44.25 97.09 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.062 0.945 . . . . 0.0 112.7 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.1 m -60.22 -36.71 78.3 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.05 -1.032 . . . . 0.0 112.353 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -67.22 -32.91 74.27 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.262 -0.899 . . . . 0.0 112.778 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.51 -50.68 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 119.111 0.869 . . . . 0.0 110.069 172.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.23 -38.41 90.96 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.358 1.063 . . . . 0.0 112.21 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -59.68 -47.07 87.1 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.249 1.02 . . . . 0.0 111.939 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.46 -45.34 84.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.373 0.669 . . . . 0.0 112.142 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.02 -40.18 94.48 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.913 0.778 . . . . 0.0 112.886 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.41 -45.96 92.15 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.314 0.646 . . . . 0.0 111.805 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.53 81.44 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.342 0.657 . . . . 0.0 112.476 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -61.4 -44.74 96.62 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.859 1.264 . . . . 0.0 111.891 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.44 -45.26 91.69 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.197 0.599 . . . . 0.0 111.856 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.6 80.08 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.61 -0.682 . . . . 0.0 112.634 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.11 -33.89 76.45 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -68.99 -37.88 78.98 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.374 0.988 . . . . 0.0 112.077 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -72.82 -35.17 67.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.713 0.805 . . . . 0.0 112.759 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.92 74.48 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.421 -0.8 . . . . 0.0 112.976 176.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -96.3 13.06 28.86 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.919 1.688 . . . . 0.0 114.127 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -67.26 -13.16 61.72 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.424 1.89 . . . . 0.0 115.453 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 127.155 2.182 . . . . 0.0 112.222 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.443 0 CA-C-O 119.372 -0.682 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -60.56 149.0 89.26 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 124.189 3.259 . . . . 0.0 113.818 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.41 31.76 0.12 Allowed Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.144 0.878 . . . . 0.0 114.108 -176.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 24.5 m -70.48 152.12 44.37 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.871 1.268 . . . . 0.0 112.985 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -138.48 151.89 47.8 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.813 1.645 . . . . 0.0 111.306 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -80.94 40.17 0.52 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.674 1.589 . . . . 0.0 113.004 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.88 -14.11 18.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.531 1.532 . . . . 0.0 114.031 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.85 59.99 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -173.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 pp -58.78 153.66 41.17 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 125.984 1.714 . . . . 0.0 112.437 169.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -62.81 151.96 81.23 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.423 2.749 . . . . 0.0 112.407 -175.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 9.6 tt -62.35 -27.71 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -64.6 -27.95 69.29 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.267 -0.896 . . . . 0.0 113.386 174.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.17 -51.26 12.5 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.35 0.977 . . . . 0.0 111.972 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.47 -31.33 72.49 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.114 -0.991 . . . . 0.0 112.192 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 49.1 m -70.48 -41.4 72.77 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.383 0.673 . . . . 0.0 112.331 171.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.98 74.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.977 -1.077 . . . . 0.0 112.322 174.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.89 -49.99 66.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.356 1.062 . . . . 0.0 111.961 173.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.7 -34.84 77.68 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.115 1.325 . . . . 0.0 112.762 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -63.9 -46.56 84.29 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 118.558 -0.734 . . . . 0.0 112.48 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.05 -26.12 61.18 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.019 0.827 . . . . 0.0 113.101 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.4 -28.36 69.73 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.285 -0.884 . . . . 0.0 113.256 168.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 74.1 mtm -105.2 2.33 29.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.552 1.541 . . . . 0.0 114.255 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.19 27.97 73.51 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.352 0.977 . . . . 0.0 114.345 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -75.49 63.34 1.48 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.965 1.706 . . . . 0.0 112.171 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 56.41 32.63 20.98 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.563 1.945 . . . . 0.0 113.845 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 83.26 -141.06 20.38 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.717 1.151 . . . . 0.0 111.815 -173.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.74 173.73 54.97 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 123.953 0.787 . . . . 0.0 114.238 174.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 174.48 164.03 28.73 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 124.982 1.277 . . . . 0.0 112.92 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 78.2 p -65.29 163.63 15.04 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -175.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.84 -137.72 4.51 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.626 1.584 . . . . 0.0 113.401 173.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -171.54 -165.95 29.56 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.626 1.108 . . . . 0.0 112.889 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -163.14 -14.61 0.03 OUTLIER Glycine 0 CA--C 1.534 1.251 0 N-CA-C 116.623 1.409 . . . . 0.0 116.623 -177.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 30.9 t -74.74 159.18 32.34 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.556 1.678 . . . . 0.0 111.373 168.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -36.64 72.27 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.333 1.053 . . . . 0.0 112.881 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -22.8 63.16 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 175.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.87 -49.25 18.46 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.359 0.982 . . . . 0.0 110.379 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.7 tt -67.11 -40.78 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.639 1.175 . . . . 0.0 112.003 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.62 -36.44 78.63 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.235 0.925 . . . . 0.0 111.989 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -73.06 -58.28 3.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.007 0.821 . . . . 0.0 112.361 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.06 -43.58 98.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.689 0.796 . . . . 0.0 113.13 -173.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 21.0 tp -75.26 -23.74 57.52 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.896 0.879 . . . . 0.0 112.921 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -81.19 -37.13 29.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.922 0.889 . . . . 0.0 113.315 168.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -59.69 -51.85 68.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.071 1.349 . . . . 0.0 111.147 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 44.5 p -62.51 -39.36 93.26 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.147 0.979 . . . . 0.0 112.714 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.32 -39.69 91.45 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.034 -1.041 . . . . 0.0 112.331 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 97.0 m -60.93 -35.74 77.5 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.005 -1.059 . . . . 0.0 112.016 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.44 -31.84 67.67 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.993 -1.067 . . . . 0.0 113.143 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 78.9 mt -58.82 -52.89 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.657 1.117 . . . . 0.0 109.451 169.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -57.59 -42.58 83.47 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.196 0.999 . . . . 0.0 112.48 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -60.05 -48.88 79.89 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.103 0.961 . . . . 0.0 112.486 177.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.42 -35.35 60.99 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -60.97 -43.92 98.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.365 0.529 . . . . 0.0 111.551 171.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.82 98.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.412 0.685 . . . . 0.0 112.499 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.61 94.14 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.611 0.764 . . . . 0.0 112.904 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -66.08 -41.5 90.62 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.806 0.842 . . . . 0.0 111.181 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.12 -35.86 82.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.664 -1.273 . . . . 0.0 113.009 176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.92 75.11 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.068 0.947 . . . . 0.0 113.515 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.0 pp -77.55 -34.27 53.85 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.808 0.731 . . . . 0.0 112.465 176.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.43 -40.5 93.39 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.019 -1.05 . . . . 0.0 112.226 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -74.76 -20.23 59.89 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -83.55 -45.23 13.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.377 1.071 . . . . 0.0 112.683 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -70.19 -14.64 62.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -173.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -75.95 -11.62 59.99 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 126.283 1.833 . . . . 0.0 113.11 178.672 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -71.53 -18.34 29.41 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 124.054 3.169 . . . . 0.0 114.812 -177.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 178.53 -155.87 17.65 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.156 1.36 . . . . 0.0 112.779 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.9 t -139.91 132.91 29.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.997 1.319 . . . . 0.0 110.771 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -146.28 172.48 13.41 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.436 1.494 . . . . 0.0 112.322 -164.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -135.29 24.61 3.51 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.767 1.627 . . . . 0.0 113.078 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.22 96.16 5.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.422 1.489 . . . . 0.0 111.727 -168.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.5 30.36 10.48 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.471 1.908 . . . . 0.0 115.53 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 pp -60.84 146.49 86.78 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.021 0.928 . . . . 0.0 111.312 173.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.33 164.25 34.52 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.034 2.489 . . . . 0.0 112.35 -175.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 tt -53.41 -35.92 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.967 1.307 . . . . 0.0 113.822 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -65.46 -32.73 74.5 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.46 0.704 . . . . 0.0 112.297 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.61 -47.2 33.64 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.243 -0.911 . . . . 0.0 112.072 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.56 -31.03 70.82 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.62 1.1 . . . . 0.0 112.216 175.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.5 t -65.8 -46.86 77.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.399 0.68 . . . . 0.0 111.653 169.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.58 75.46 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.422 -1.424 . . . . 0.0 112.412 174.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.88 -52.38 56.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.201 1.0 . . . . 0.0 112.649 174.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.9 -32.16 73.51 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.526 1.512 . . . . 0.0 112.826 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -63.83 -48.1 78.15 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.071 0.948 . . . . 0.0 110.762 171.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.95 -37.51 85.02 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.659 1.184 . . . . 0.0 112.832 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -64.46 -30.96 71.99 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.362 -0.837 . . . . 0.0 112.71 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.1 mtm -87.26 4.15 43.82 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.302 1.441 . . . . 0.0 114.065 171.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.32 5.56 85.62 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.113 1.339 . . . . 0.0 115.524 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -76.66 148.58 36.78 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.282 1.433 . . . . 0.0 111.385 172.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -133.44 12.02 4.13 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.717 1.607 . . . . 0.0 113.98 -173.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.48 175.35 21.04 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 126.309 1.909 . . . . 0.0 112.327 172.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.63 -175.3 38.76 Favored Glycine 0 CA--C 1.544 1.844 0 O-C-N 121.712 -0.875 . . . . 0.0 114.815 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.12 -145.56 4.75 Favored Glycine 0 N--CA 1.474 1.232 0 C-N-CA 124.876 1.227 . . . . 0.0 112.811 -175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -68.18 -18.22 64.54 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.34 -9.68 19.58 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.353 1.454 . . . . 0.0 115.855 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.67 -8.08 27.99 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.542 1.544 . . . . 0.0 115.508 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.11 13.7 76.3 Favored Glycine 0 CA--C 1.544 1.894 0 N-CA-C 117.187 1.635 . . . . 0.0 117.187 170.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.9 m -72.21 161.93 30.17 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.435 1.618 . . . . 0.0 111.348 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.2 mmt -54.65 -34.97 63.0 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -176.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -71.39 -30.79 66.53 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 175.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -71.41 -45.46 62.66 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.044 0.938 . . . . 0.0 110.555 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.4 tt -69.45 -41.35 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.44 0.696 . . . . 0.0 111.736 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -58.83 -41.72 87.53 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.421 1.01 . . . . 0.0 112.267 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -71.21 -51.7 23.25 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.755 0.707 . . . . 0.0 111.768 176.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.46 -39.83 85.35 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.531 -0.731 . . . . 0.0 112.452 -172.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.6 tp -74.33 -27.07 60.52 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.503 1.121 . . . . 0.0 112.768 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.79 -31.99 63.54 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.314 -0.866 . . . . 0.0 112.16 168.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -64.13 -47.19 80.91 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.03 -1.044 . . . . 0.0 112.666 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.3 p -64.15 -39.84 94.89 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.415 0.686 . . . . 0.0 112.467 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.21 -44.88 92.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.438 1.017 . . . . 0.0 111.655 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.8 m -62.54 -32.26 73.18 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.264 -0.897 . . . . 0.0 112.052 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -67.78 -33.57 75.09 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.622 -1.299 . . . . 0.0 113.353 173.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.85 -46.66 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-N 119.023 0.829 . . . . 0.0 110.022 171.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -58.0 -46.19 85.62 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.332 1.053 . . . . 0.0 111.341 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -61.79 -42.84 99.51 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.578 1.151 . . . . 0.0 112.966 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.82 -48.73 80.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.578 0.751 . . . . 0.0 111.816 176.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.81 -35.51 77.08 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.76 0.824 . . . . 0.0 111.99 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.37 88.59 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.385 0.674 . . . . 0.0 112.424 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.0 96.62 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.47 -0.769 . . . . 0.0 112.704 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -62.61 -44.95 95.01 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.185 0.994 . . . . 0.0 111.275 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -63.87 -38.77 92.32 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.221 -0.925 . . . . 0.0 112.246 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.98 -47.87 67.35 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.375 0.67 . . . . 0.0 112.629 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.06 -30.86 71.03 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.454 -0.779 . . . . 0.0 112.193 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.44 -16.8 63.06 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -96.95 -44.03 7.2 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.284 1.033 . . . . 0.0 111.804 168.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.08 71.21 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -73.19 -6.92 48.96 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -136.02 19.98 3.23 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.074 1.749 . . . . 0.0 113.979 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 . . . . . 0 C--O 1.255 1.343 0 C-N-CA 125.802 1.641 . . . . 0.0 113.327 177.16 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 CA-C-O 119.451 -0.638 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -66.7 152.91 79.67 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 124.031 3.154 . . . . 0.0 112.852 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.07 41.2 2.19 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.629 1.585 . . . . 0.0 114.493 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 25.4 m 55.4 40.18 31.32 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.064 1.746 . . . . 0.0 113.353 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -62.66 125.22 23.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.072 0.949 . . . . 0.0 111.801 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 55.56 24.03 6.57 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.393 1.877 . . . . 0.0 115.25 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.15 81.62 7.3 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.259 1.423 . . . . 0.0 113.254 -171.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.53 36.83 21.45 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.852 1.661 . . . . 0.0 114.222 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.66 150.73 85.88 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.175 1.39 . . . . 0.0 112.644 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.29 161.51 45.59 Favored 'Trans proline' 0 CA--C 1.535 0.525 0 C-N-CA 122.971 2.447 . . . . 0.0 113.122 -173.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.2 tt -61.15 -30.05 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.354 1.062 . . . . 0.0 113.838 -173.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -68.72 -29.55 67.99 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.518 -0.739 . . . . 0.0 112.821 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -78.49 -45.1 22.84 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.798 0.839 . . . . 0.0 112.497 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.94 -32.83 74.35 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.469 1.031 . . . . 0.0 111.718 173.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.7 t -62.8 -46.7 86.77 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.642 0.777 . . . . 0.0 111.805 168.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -34.93 75.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.848 -1.158 . . . . 0.0 112.889 175.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.3 mp -67.2 -49.89 62.92 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.894 0.878 . . . . 0.0 112.472 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.7 -35.07 79.7 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.357 1.435 . . . . 0.0 112.412 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -62.62 -43.91 97.62 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.218 1.007 . . . . 0.0 112.107 172.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.54 -38.41 89.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.025 1.33 . . . . 0.0 112.515 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -62.54 -37.08 84.7 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.961 -1.087 . . . . 0.0 113.291 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 71.8 mtm -83.76 -2.14 55.67 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 173.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.5 20.22 77.08 Favored Glycine 0 CA--C 1.537 1.422 0 N-CA-C 115.55 0.98 . . . . 0.0 115.55 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -70.94 140.94 51.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.863 1.331 . . . . 0.0 111.514 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -72.37 -35.46 68.48 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -175.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -97.65 117.6 5.85 Favored Glycine 0 N--CA 1.471 0.993 0 C-N-CA 124.477 1.037 . . . . 0.0 112.664 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.45 149.21 27.18 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.111 1.338 . . . . 0.0 112.883 171.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.21 169.47 9.62 Favored Glycine 0 CA--C 1.543 1.834 0 C-N-CA 124.373 0.987 . . . . 0.0 113.844 -171.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 69.2 m -142.41 162.52 35.26 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 128.231 2.612 . . . . 0.0 111.381 9.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -72.65 98.01 0.83 Allowed Glycine 0 CA--C 1.533 1.196 0 C-N-CA 123.507 0.575 . . . . 0.0 112.679 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.63 -26.69 70.93 Favored Glycine 0 CA--C 1.536 1.363 0 N-CA-C 114.724 0.65 . . . . 0.0 114.724 -176.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.85 -26.48 1.42 Allowed Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.471 1.51 . . . . 0.0 116.139 173.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.2 m -64.36 151.62 43.5 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 118.96 1.38 . . . . 0.0 112.091 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 6.4 tpt -66.3 -22.08 66.28 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -168.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -79.0 -37.19 39.87 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.043 -1.036 . . . . 0.0 112.777 170.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.29 -38.62 78.4 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.342 -0.849 . . . . 0.0 112.166 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.0 tt -61.1 -43.33 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.139 0.576 . . . . 0.0 111.522 171.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -64.7 -41.22 96.17 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.527 0.603 . . . . 0.0 111.754 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.97 -53.99 50.48 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.932 0.893 . . . . 0.0 112.445 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.63 -42.61 99.14 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.658 0.783 . . . . 0.0 111.724 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.3 tp -76.31 -27.6 56.62 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.847 0.859 . . . . 0.0 112.815 -176.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.3 68.97 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.142 0.977 . . . . 0.0 112.359 169.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.04 -49.45 74.55 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.269 0.627 . . . . 0.0 112.125 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 65.2 p -62.12 -37.82 86.57 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.92 -42.39 99.04 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.032 -1.043 . . . . 0.0 112.498 171.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.2 m -62.06 -38.08 87.4 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 121.186 -0.946 . . . . 0.0 112.074 176.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -66.92 -33.93 76.68 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.364 -0.835 . . . . 0.0 113.115 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.01 -51.27 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.269 -0.895 . . . . 0.0 110.09 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.84 -39.46 89.18 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.207 1.003 . . . . 0.0 111.961 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -58.62 -48.68 80.17 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.486 1.114 . . . . 0.0 111.737 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.77 -34.44 66.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.626 0.77 . . . . 0.0 112.59 -178.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -61.17 -43.83 98.26 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.286 0.948 . . . . 0.0 112.239 169.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.28 97.25 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.145 0.43 . . . . 0.0 112.121 176.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.98 90.82 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -62.3 -46.02 90.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.963 1.305 . . . . 0.0 111.387 177.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -63.94 -44.28 93.29 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.634 -0.666 . . . . 0.0 111.931 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.96 88.13 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.646 0.778 . . . . 0.0 112.537 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 1.6 pp -67.55 -36.05 80.22 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.386 -0.821 . . . . 0.0 111.383 177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -64.75 -50.8 65.46 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.401 0.681 . . . . 0.0 112.088 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -73.67 -28.51 61.79 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -176.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -64.2 -31.29 72.43 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.153 -0.967 . . . . 0.0 112.713 176.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.47 -3.15 45.29 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.322 1.449 . . . . 0.0 114.841 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -127.33 8.64 6.57 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.656 1.582 . . . . 0.0 114.824 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 125.409 1.483 . . . . 0.0 112.888 175.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 CA-C-O 119.383 -0.676 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.17 162.51 39.88 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.898 3.065 . . . . 0.0 112.772 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.78 -150.75 7.54 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.13 0.871 . . . . 0.0 112.992 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 m -74.7 -21.95 59.11 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 59.0 175.95 0.07 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.788 2.035 . . . . 0.0 113.959 -171.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -67.4 126.99 31.04 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.042 -1.036 . . . . 0.0 111.72 -177.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.44 152.01 19.66 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.472 1.509 . . . . 0.0 111.606 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.19 16.28 2.94 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.513 2.325 . . . . 0.0 116.899 172.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.45 158.56 85.03 Favored Pre-proline 0 CA--C 1.555 1.158 0 C-N-CA 126.033 1.733 . . . . 0.0 112.683 172.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.31 164.3 26.18 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 123.542 2.828 . . . . 0.0 114.437 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.79 -36.76 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -170.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -65.99 -25.35 67.05 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -82.17 -55.28 4.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.579 0.752 . . . . 0.0 111.326 173.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.18 -34.94 75.87 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.135 -0.978 . . . . 0.0 113.132 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.4 t -66.19 -34.76 78.76 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.793 0.837 . . . . 0.0 112.793 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.43 -40.13 44.48 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.12 -0.987 . . . . 0.0 111.492 172.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.51 -41.15 98.52 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.998 0.919 . . . . 0.0 112.721 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.74 -36.18 83.02 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.28 1.4 . . . . 0.0 112.098 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -71.47 -38.57 71.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.628 0.771 . . . . 0.0 111.905 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.35 -36.99 85.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.058 1.343 . . . . 0.0 112.723 173.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.84 -33.62 74.5 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.034 0.934 . . . . 0.0 112.529 171.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.1 mtm -82.89 -3.05 56.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.145 1.378 . . . . 0.0 114.645 171.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.07 28.45 73.38 Favored Glycine 0 CA--C 1.536 1.397 0 O-C-N 121.031 -1.043 . . . . 0.0 113.699 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -123.5 165.26 17.4 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.887 2.075 . . . . 0.0 112.239 -169.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -135.59 -3.98 2.32 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.532 1.933 . . . . 0.0 113.22 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.41 -125.75 0.62 Allowed Glycine 0 CA--C 1.537 1.451 0 C-N-CA 126.194 1.854 . . . . 0.0 112.86 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.03 -158.51 48.23 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.136 0.874 . . . . 0.0 114.551 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.38 146.55 50.44 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.359 0.98 . . . . 0.0 113.87 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 t -71.77 159.39 34.41 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.51 1.124 . . . . 0.0 112.871 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.27 143.96 32.55 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 124.259 0.933 . . . . 0.0 113.059 175.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.39 -21.97 1.71 Allowed Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.003 1.287 . . . . 0.0 115.249 175.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.35 17.75 77.81 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-N 118.493 1.146 . . . . 0.0 114.853 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.9 t -69.4 163.53 25.01 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.735 1.267 . . . . 0.0 111.814 175.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -36.8 64.6 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.715 1.206 . . . . 0.0 112.053 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.07 -26.95 65.2 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.988 0.915 . . . . 0.0 112.771 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -78.99 -43.5 24.25 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.213 -0.93 . . . . 0.0 111.581 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.91 -38.21 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.665 172.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.74 -31.83 66.85 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.927 1.239 . . . . 0.0 112.721 173.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.6 -60.07 2.52 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.173 0.989 . . . . 0.0 111.944 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -61.44 -42.93 99.52 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.0 0.92 . . . . 0.0 112.999 -173.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.75 -35.97 70.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.36 0.664 . . . . 0.0 112.276 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.16 -37.88 72.21 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.686 0.794 . . . . 0.0 112.319 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -62.03 -44.01 97.61 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.525 1.13 . . . . 0.0 111.43 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -63.25 -42.6 99.2 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.698 0.799 . . . . 0.0 111.943 174.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.85 -36.26 80.69 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.304 1.042 . . . . 0.0 112.525 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -60.2 -36.19 77.11 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.148 -0.97 . . . . 0.0 112.177 175.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -70.38 -36.95 74.44 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.246 -0.908 . . . . 0.0 112.15 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.6 -49.94 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 110.976 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -58.37 -43.54 88.48 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.923 0.889 . . . . 0.0 113.185 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -65.31 -43.39 91.18 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.115 0.566 . . . . 0.0 112.358 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.88 -38.9 79.97 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.565 0.746 . . . . 0.0 112.481 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -61.26 -46.05 91.96 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.272 0.629 . . . . 0.0 111.536 171.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.64 91.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.144 0.578 . . . . 0.0 112.448 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.84 92.37 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.109 -0.995 . . . . 0.0 112.726 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -61.41 -46.67 89.16 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.135 0.974 . . . . 0.0 111.119 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -63.87 -43.75 95.13 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.342 -0.849 . . . . 0.0 112.606 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.75 -41.17 96.12 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.06 0.944 . . . . 0.0 113.312 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 pp -74.54 -36.69 63.14 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.566 0.621 . . . . 0.0 112.056 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.65 -42.37 99.57 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.091 0.86 . . . . 0.0 111.909 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -73.74 -26.56 60.74 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.02 -39.01 63.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.306 0.957 . . . . 0.0 112.469 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -84.54 18.1 2.42 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.558 1.543 . . . . 0.0 114.295 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -74.75 -7.87 54.66 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.259 1.824 . . . . 0.0 113.983 -175.686 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 CA-C-O 119.992 -0.338 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.12 153.04 61.28 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 124.273 3.315 . . . . 0.0 114.415 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 173.35 174.75 40.61 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.697 1.142 . . . . 0.0 113.676 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 86.4 p -144.9 14.36 1.51 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.565 1.546 . . . . 0.0 113.388 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -70.34 162.5 28.45 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.74 1.616 . . . . 0.0 113.183 -174.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -73.6 39.56 0.1 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.89 2.076 . . . . 0.0 114.444 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.92 67.92 1.72 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.696 1.998 . . . . 0.0 113.255 -175.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 55.53 33.96 22.14 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.558 1.943 . . . . 0.0 114.452 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.2 146.63 83.05 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.128 0.971 . . . . 0.0 112.033 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -71.9 161.88 43.62 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.79 2.327 . . . . 0.0 112.319 -176.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.1 -25.57 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -175.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -61.29 -37.24 82.5 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.736 0.814 . . . . 0.0 112.546 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -75.02 -48.16 25.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.709 0.804 . . . . 0.0 112.169 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.25 -32.63 73.79 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 119.209 0.913 . . . . 0.0 112.442 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 18.5 t -62.2 -49.39 75.97 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.72 0.808 . . . . 0.0 111.58 167.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -33.13 72.5 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.706 -1.246 . . . . 0.0 112.577 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.35 -51.02 61.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.68 1.192 . . . . 0.0 112.094 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.96 -35.33 80.29 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.237 1.381 . . . . 0.0 112.107 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -65.17 -47.26 77.62 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.04 0.936 . . . . 0.0 112.594 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -72.68 -27.09 61.88 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.393 0.997 . . . . 0.0 113.637 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -66.51 -35.62 80.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.6 1.091 . . . . 0.0 112.479 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.7 mtt -73.12 -10.93 60.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.157 0.983 . . . . 0.0 113.241 170.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.56 15.18 79.26 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.935 1.255 . . . . 0.0 113.867 -173.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -83.57 115.39 22.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.516 1.526 . . . . 0.0 111.617 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 56.3 p-10 -84.93 -3.31 58.67 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.575 1.15 . . . . 0.0 113.547 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.76 -175.63 49.74 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.318 1.437 . . . . 0.0 114.821 176.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.11 -173.49 46.3 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.724 1.631 . . . . 0.0 113.037 178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -175.22 158.91 26.79 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.011 0.815 . . . . 0.0 113.759 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 80.5 p -77.74 165.61 24.0 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.434 1.494 . . . . 0.0 112.951 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -158.6 161.45 31.78 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.052 1.31 . . . . 0.0 112.76 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -102.37 -0.82 50.5 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.575 1.559 . . . . 0.0 114.762 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.3 13.33 83.7 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.49 1.043 . . . . 0.0 114.454 -171.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 42.3 m -67.6 159.18 30.4 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.023 1.329 . . . . 0.0 112.291 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -33.25 64.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.437 1.095 . . . . 0.0 113.455 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -74.21 -27.47 60.8 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.062 -1.024 . . . . 0.0 113.019 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -71.74 -42.52 67.17 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 120.125 1.329 . . . . 0.0 111.488 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 9.4 tt -65.27 -38.96 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.615 0.766 . . . . 0.0 111.154 171.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -59.63 -46.75 88.07 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.403 1.001 . . . . 0.0 111.467 173.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -64.4 -48.16 76.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.988 0.915 . . . . 0.0 112.165 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.25 -48.28 78.89 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.64 -0.662 . . . . 0.0 111.419 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.1 tp -77.26 -23.85 51.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.547 0.739 . . . . 0.0 112.661 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.72 85.44 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.014 -1.054 . . . . 0.0 112.217 167.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.85 -46.2 90.5 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.946 1.298 . . . . 0.0 111.532 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 90.3 p -66.08 -42.56 89.19 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.94 -41.76 98.32 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.292 -0.88 . . . . 0.0 112.342 176.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 96.7 m -62.18 -39.59 93.21 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.373 -0.83 . . . . 0.0 111.786 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -68.09 -34.77 77.02 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.92 -52.16 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 118.825 0.738 . . . . 0.0 109.899 171.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -66.32 -36.09 82.05 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.34 1.056 . . . . 0.0 112.775 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -62.05 -46.8 87.54 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.413 1.085 . . . . 0.0 112.288 174.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.58 -40.85 84.83 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.464 0.705 . . . . 0.0 112.075 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.1 -40.89 95.18 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.598 0.635 . . . . 0.0 112.636 175.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.31 97.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.507 0.723 . . . . 0.0 112.338 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.96 97.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.363 0.665 . . . . 0.0 112.718 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -64.48 -43.75 93.18 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.188 0.995 . . . . 0.0 111.48 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -61.53 -36.48 80.7 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.872 -1.143 . . . . 0.0 113.044 175.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.86 71.31 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.72 -28.76 20.32 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -61.18 -40.92 95.74 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.633 -1.292 . . . . 0.0 111.68 174.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -78.31 -9.52 59.28 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -87.84 -44.34 11.16 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.059 0.943 . . . . 0.0 112.277 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -79.11 52.23 1.26 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.232 1.813 . . . . 0.0 113.616 -175.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -144.13 4.75 1.26 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.245 1.818 . . . . 0.0 115.32 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.485 1.279 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.161 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 0 CA-C-O 118.651 -1.083 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.9 159.4 51.88 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.964 3.109 . . . . 0.0 112.189 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.21 21.35 79.79 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.401 1.001 . . . . 0.0 115.004 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.5 p -69.93 -22.57 63.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.743 1.217 . . . . 0.0 114.002 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -76.38 150.11 36.85 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.511 1.525 . . . . 0.0 112.409 173.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -147.42 117.71 7.37 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.826 1.25 . . . . 0.0 110.245 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.93 83.17 1.33 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.923 1.289 . . . . 0.0 111.164 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.77 44.92 29.67 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.541 1.536 . . . . 0.0 113.826 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.13 145.07 67.45 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 124.46 1.104 . . . . 0.0 111.863 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -72.46 164.01 36.88 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.253 2.635 . . . . 0.0 112.623 -174.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 tt -58.99 -31.33 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.629 1.172 . . . . 0.0 113.654 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.08 -34.45 77.61 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.24 -0.912 . . . . 0.0 112.631 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -74.35 -50.09 20.14 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.828 0.851 . . . . 0.0 112.208 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.92 -30.01 70.53 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.665 1.12 . . . . 0.0 112.166 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -67.99 -33.16 74.1 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.169 0.987 . . . . 0.0 113.193 170.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.67 -34.54 62.72 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 119.985 -1.697 . . . . 0.0 112.558 171.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.55 -42.39 98.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.904 0.882 . . . . 0.0 112.218 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.92 -39.51 90.59 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.493 1.042 . . . . 0.0 112.537 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -66.66 -42.08 87.16 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.593 0.633 . . . . 0.0 111.104 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -66.05 -36.13 82.39 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -66.03 -33.13 75.11 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.48 1.036 . . . . 0.0 113.214 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.4 mtt -76.85 -10.65 59.52 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.538 1.135 . . . . 0.0 113.665 172.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.6 18.7 78.72 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.819 1.199 . . . . 0.0 113.87 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -74.06 130.57 40.07 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.667 1.587 . . . . 0.0 111.268 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.92 -21.44 62.37 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.568 1.147 . . . . 0.0 113.968 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.69 150.19 42.74 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 119.005 0.821 . . . . 0.0 113.741 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.49 157.71 38.62 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.013 1.292 . . . . 0.0 114.624 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.85 150.03 19.67 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.165 0.888 . . . . 0.0 114.096 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.5 p -160.85 155.74 24.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.41 1.484 . . . . 0.0 111.609 171.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.99 141.93 31.06 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 123.997 0.808 . . . . 0.0 113.512 172.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.55 -168.05 44.21 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.349 1.452 . . . . 0.0 114.158 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.51 -30.2 0.03 OUTLIER Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.14 0.876 . . . . 0.0 114.943 173.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.0 m -91.8 156.2 17.7 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.224 1.41 . . . . 0.0 111.523 171.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 50.6 tpp -60.55 -30.76 69.97 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.395 -0.816 . . . . 0.0 113.139 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -67.78 -27.37 66.7 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.575 -1.328 . . . . 0.0 113.46 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -68.42 -44.69 74.44 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.784 0.834 . . . . 0.0 110.84 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.1 tt -73.41 -37.99 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.018 0.927 . . . . 0.0 111.698 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -55.74 -48.16 75.71 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.339 0.972 . . . . 0.0 111.319 170.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.35 -46.91 78.3 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.683 0.793 . . . . 0.0 113.089 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.1 mt -62.05 -50.46 71.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.203 0.911 . . . . 0.0 112.278 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 tp -76.03 -32.78 59.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.339 0.655 . . . . 0.0 112.629 -169.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.84 -30.69 68.24 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -66.21 -43.09 87.71 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.575 1.15 . . . . 0.0 111.828 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.3 m -63.64 -41.68 98.21 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.84 -41.2 95.33 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.929 0.891 . . . . 0.0 112.081 175.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.6 m -61.32 -42.3 98.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.445 0.698 . . . . 0.0 111.672 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -67.23 -33.3 75.07 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.395 -0.815 . . . . 0.0 113.194 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.32 -47.69 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 121.411 -0.806 . . . . 0.0 110.101 171.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -64.81 -36.16 83.42 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.376 1.071 . . . . 0.0 112.858 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.1 mtp-105 -62.18 -41.26 98.16 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.652 0.781 . . . . 0.0 112.382 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.79 -48.7 70.91 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.263 1.025 . . . . 0.0 111.169 174.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -65.44 -33.27 75.55 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.54 89.41 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.998 0.817 . . . . 0.0 112.6 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.43 -43.99 65.7 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.731 0.812 . . . . 0.0 112.485 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -64.94 -41.99 95.05 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.21 1.004 . . . . 0.0 111.796 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -64.56 -40.04 94.85 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.836 -1.165 . . . . 0.0 112.571 176.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.37 81.98 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.346 0.659 . . . . 0.0 112.567 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.06 -31.07 67.39 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -62.92 -39.85 95.82 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.625 1.102 . . . . 0.0 111.685 173.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -71.33 -35.48 71.23 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.619 1.168 . . . . 0.0 112.292 175.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.7 -44.68 40.92 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -85.42 -8.4 58.43 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -168.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -77.76 -10.24 59.44 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 . . . . . 0 C--O 1.255 1.389 0 C-N-CA 126.186 1.794 . . . . 0.0 113.336 178.463 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 112.377 -0.289 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.83 -16.31 20.74 Favored 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 123.999 3.133 . . . . 0.0 113.947 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.5 -171.49 39.5 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.797 1.665 . . . . 0.0 111.993 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 50.8 m 52.38 65.57 1.47 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.787 1.635 . . . . 0.0 113.27 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -53.37 144.79 15.69 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.281 1.432 . . . . 0.0 114.579 -171.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -150.32 -169.08 3.29 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.525 2.33 . . . . 0.0 110.742 -174.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . 64.47 -18.87 0.07 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.606 2.362 . . . . 0.0 116.87 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.89 -5.1 47.07 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.152 1.381 . . . . 0.0 114.119 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.51 151.19 21.53 Favored Pre-proline 0 CA--C 1.555 1.173 0 C-N-CA 126.591 1.956 . . . . 0.0 112.884 172.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -62.86 152.14 80.47 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.194 2.596 . . . . 0.0 112.241 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 tt -61.91 -26.93 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -170.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -62.41 -26.4 68.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.661 0.785 . . . . 0.0 112.977 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -80.0 -55.74 4.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.631 0.773 . . . . 0.0 111.188 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.34 -34.62 78.76 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.263 0.938 . . . . 0.0 112.731 -176.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.4 t -67.28 -34.64 77.84 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.668 1.187 . . . . 0.0 113.315 173.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.95 -38.59 66.71 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.546 -0.721 . . . . 0.0 111.943 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.59 -45.22 91.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.098 0.959 . . . . 0.0 112.488 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.37 -34.91 79.02 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.216 1.371 . . . . 0.0 112.539 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -66.52 -44.89 81.26 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.145 0.578 . . . . 0.0 111.629 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.18 -39.62 90.84 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.836 1.254 . . . . 0.0 112.689 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -63.94 -38.12 89.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.909 0.884 . . . . 0.0 112.58 173.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 70.8 mtm -75.73 -6.49 50.81 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 171.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.72 10.49 86.2 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.908 1.242 . . . . 0.0 115.279 -176.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -80.2 130.62 35.35 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.143 1.377 . . . . 0.0 111.71 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -98.9 -9.45 24.16 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.083 1.353 . . . . 0.0 113.139 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -90.78 -155.64 31.71 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.653 1.597 . . . . 0.0 114.363 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 86.61 -11.58 63.59 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.536 1.541 . . . . 0.0 116.277 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.18 -128.0 46.48 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 118.602 1.201 . . . . 0.0 113.869 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 40.5 t -143.42 139.22 29.84 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.572 1.549 . . . . 0.0 110.744 173.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.47 161.19 49.95 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.72 1.153 . . . . 0.0 114.915 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -94.94 -4.49 61.53 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.877 1.703 . . . . 0.0 113.746 172.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.35 83.21 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.101 1.334 . . . . 0.0 114.319 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.3 m -69.52 157.43 37.16 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.108 1.363 . . . . 0.0 112.323 176.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.7 mmt -58.42 -31.03 67.34 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.69 -28.24 65.68 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.13 -0.981 . . . . 0.0 113.198 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -73.17 -49.14 29.82 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.024 -1.047 . . . . 0.0 111.492 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.9 tt -63.59 -41.94 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.029 0.932 . . . . 0.0 112.318 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -61.72 -44.87 96.08 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.74 0.7 . . . . 0.0 111.736 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -65.9 -48.87 70.01 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.567 0.621 . . . . 0.0 112.669 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.42 -46.26 90.85 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.44 -0.788 . . . . 0.0 112.202 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.4 tp -69.88 -36.72 75.69 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.668 0.787 . . . . 0.0 112.323 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.02 81.95 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.196 0.814 . . . . 0.0 113.196 173.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -65.37 -44.62 87.03 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.515 1.052 . . . . 0.0 112.108 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 8.7 t -61.54 -40.01 93.14 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.991 -0.443 . . . . 0.0 111.966 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.03 -42.05 99.67 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.142 0.977 . . . . 0.0 112.758 171.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 65.4 m -61.29 -38.32 86.34 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 120.844 -1.16 . . . . 0.0 111.966 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -65.52 -32.53 74.18 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.209 -0.932 . . . . 0.0 113.045 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.76 -51.0 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.516 1.053 . . . . 0.0 109.953 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -59.13 -42.24 90.18 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.138 0.975 . . . . 0.0 111.889 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -64.5 -43.09 95.22 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.884 1.274 . . . . 0.0 112.866 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.81 -37.88 79.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.112 0.869 . . . . 0.0 112.618 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -59.32 -46.21 89.2 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.911 0.778 . . . . 0.0 111.41 172.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.57 -43.62 98.36 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.986 0.914 . . . . 0.0 112.583 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.42 92.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.502 0.721 . . . . 0.0 112.39 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -66.51 -40.84 89.41 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.531 0.732 . . . . 0.0 112.019 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -65.26 -35.46 81.1 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.558 -1.339 . . . . 0.0 112.485 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.88 78.53 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.9 pp -81.44 -32.8 32.47 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.13 -43.41 98.45 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.776 1.171 . . . . 0.0 112.847 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -69.54 -13.28 62.25 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -107.67 -2.61 20.0 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.932 1.693 . . . . 0.0 114.104 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.95 4.17 7.29 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.978 1.711 . . . . 0.0 114.194 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -75.95 -13.6 60.25 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.027 1.731 . . . . 0.0 114.983 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 35.6 mp0 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 127.469 2.308 . . . . 0.0 113.731 178.555 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.508 0 CA-C-O 119.734 -0.481 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.27 150.77 78.22 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.903 3.069 . . . . 0.0 114.126 -178.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.37 166.67 54.77 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.419 1.009 . . . . 0.0 114.067 176.281 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.7 m -83.66 143.28 30.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.108 0.963 . . . . 0.0 111.42 170.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -143.13 159.18 42.78 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.44 1.496 . . . . 0.0 111.878 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 54.91 39.03 31.35 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.745 1.618 . . . . 0.0 113.844 177.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -119.74 127.04 52.47 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.709 1.604 . . . . 0.0 110.877 -174.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.91 31.57 16.12 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.804 2.041 . . . . 0.0 114.745 178.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.32 148.87 92.64 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 124.002 0.921 . . . . 0.0 111.707 174.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.98 164.01 35.5 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.118 2.546 . . . . 0.0 113.141 -171.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.98 -34.0 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -173.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -70.0 -24.95 63.39 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.085 -1.009 . . . . 0.0 112.685 176.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -73.37 -51.05 18.77 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.52 -0.737 . . . . 0.0 111.375 175.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.8 -33.12 75.23 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 120.74 -1.225 . . . . 0.0 112.784 176.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -69.11 -30.2 68.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 173.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.05 60.88 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.33 -0.857 . . . . 0.0 111.524 168.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.15 -42.88 95.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.802 0.841 . . . . 0.0 112.653 -177.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.09 -38.52 91.37 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.581 1.082 . . . . 0.0 112.702 176.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -68.8 -39.98 79.82 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.485 -0.759 . . . . 0.0 112.839 174.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -61.75 -39.88 93.16 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.471 1.108 . . . . 0.0 112.038 174.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -68.48 -37.27 79.97 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 174.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.3 mtt -64.47 -23.74 67.38 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.199 1.0 . . . . 0.0 113.547 173.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.76 12.43 59.32 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.319 1.438 . . . . 0.0 114.312 -171.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -80.74 160.99 24.76 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.974 1.71 . . . . 0.0 111.956 176.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -70.93 -31.59 68.25 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -162.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.41 167.14 32.03 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 119.367 0.985 . . . . 0.0 115.127 -179.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.39 -163.74 10.27 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.139 1.828 . . . . 0.0 115.931 -175.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.31 168.58 33.14 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.335 1.445 . . . . 0.0 112.987 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -150.4 159.98 44.08 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.202 1.401 . . . . 0.0 112.115 -173.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.88 0.22 87.99 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.185 1.374 . . . . 0.0 115.379 -178.321 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.42 160.97 52.59 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 118.568 1.184 . . . . 0.0 113.855 174.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.68 -9.89 0.05 OUTLIER Glycine 0 CA--C 1.539 1.575 0 N-CA-C 115.881 1.112 . . . . 0.0 115.881 177.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.1 m -72.91 159.94 32.93 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.924 1.362 . . . . 0.0 111.816 173.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -35.84 65.55 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.758 0.823 . . . . 0.0 113.028 -177.437 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -67.34 -30.51 70.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.107 0.963 . . . . 0.0 113.168 177.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.16 -43.38 67.64 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.99 0.814 . . . . 0.0 111.013 177.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tt -75.32 -37.95 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 123.547 0.739 . . . . 0.0 111.783 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.65 -36.69 74.52 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.7 1.136 . . . . 0.0 112.1 173.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -70.01 -58.07 4.26 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.864 0.757 . . . . 0.0 112.566 174.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.66 -42.96 98.02 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.425 -0.797 . . . . 0.0 112.942 -174.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 tp -76.63 -23.67 53.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.897 0.879 . . . . 0.0 112.585 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.53 -37.82 50.1 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.243 -0.911 . . . . 0.0 112.783 165.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -65.27 -44.86 86.71 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.269 -0.894 . . . . 0.0 112.082 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.2 p -62.77 -38.63 91.33 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 172.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.82 -40.91 98.86 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.769 -1.207 . . . . 0.0 111.933 170.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.5 m -61.59 -37.09 82.59 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.2 1.0 . . . . 0.0 111.605 176.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.23 -33.6 75.69 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.271 -0.893 . . . . 0.0 113.106 174.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.92 -47.53 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 121.289 -0.882 . . . . 0.0 110.268 171.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -55.55 -47.73 75.89 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.311 1.044 . . . . 0.0 111.814 174.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -55.36 -49.68 71.65 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.122 1.769 . . . . 0.0 111.732 178.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.98 -36.37 62.02 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -62.43 -41.31 98.62 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.248 0.931 . . . . 0.0 111.55 172.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.38 95.06 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.559 0.744 . . . . 0.0 112.49 173.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.33 96.16 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.706 0.802 . . . . 0.0 112.637 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -65.57 -40.26 92.58 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.386 1.075 . . . . 0.0 111.295 177.009 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.46 -43.68 96.63 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.848 -1.157 . . . . 0.0 112.26 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.86 95.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.633 0.773 . . . . 0.0 113.027 -177.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 pp -76.81 -29.64 56.06 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 175.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.59 -42.93 91.12 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.307 -0.871 . . . . 0.0 111.388 177.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -75.96 -15.92 60.08 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 175.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.3 -53.51 6.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.373 1.069 . . . . 0.0 112.808 174.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -73.86 -11.98 60.53 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -171.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -78.7 -2.5 39.59 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 178.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.442 1.497 . . . . 0.0 113.591 177.067 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.32 156.56 40.06 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.948 3.099 . . . . 0.0 114.252 178.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.63 133.01 32.32 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.693 0.663 . . . . 0.0 112.657 176.088 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.9 m -78.1 -16.77 57.7 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 57.57 173.15 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.792 2.037 . . . . 0.0 113.704 -165.109 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -78.16 53.06 1.16 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.618 1.167 . . . . 0.0 112.097 175.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.88 -15.91 46.32 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.072 1.349 . . . . 0.0 114.331 179.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.86 -8.9 59.24 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -172.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.07 153.92 32.35 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 125.521 1.528 . . . . 0.0 112.119 169.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -63.21 157.8 47.76 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.015 2.477 . . . . 0.0 113.769 -172.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.21 -31.01 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 124.371 1.068 . . . . 0.0 113.478 -174.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -67.56 -34.26 76.7 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.586 0.754 . . . . 0.0 112.523 175.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -72.6 -48.4 40.07 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.34 -0.85 . . . . 0.0 111.629 -177.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.8 -32.54 73.18 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.942 -1.098 . . . . 0.0 112.667 175.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 32.4 t -62.57 -48.26 80.23 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.847 0.859 . . . . 0.0 111.178 170.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.19 88.66 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.157 -0.965 . . . . 0.0 112.413 176.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.94 -51.7 65.89 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.155 -0.926 . . . . 0.0 112.807 175.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.86 -33.99 77.1 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.454 1.479 . . . . 0.0 112.751 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -71.58 -36.93 71.05 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.778 0.831 . . . . 0.0 112.524 176.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.96 -40.3 87.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.117 1.367 . . . . 0.0 112.585 171.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -65.39 -18.64 65.47 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 173.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 75.5 mtm -103.65 3.9 34.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.167 1.787 . . . . 0.0 113.637 172.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.47 26.85 72.41 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.551 1.072 . . . . 0.0 115.742 173.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.19 157.34 34.02 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 118.962 1.381 . . . . 0.0 113.164 179.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 50.2 p-10 -73.56 -5.76 42.29 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.402 1.481 . . . . 0.0 114.485 -178.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 178.64 174.56 44.98 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 126.409 1.956 . . . . 0.0 112.412 178.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -170.27 -168.02 31.52 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.371 0.986 . . . . 0.0 113.802 -178.121 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.9 -124.83 6.9 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.873 0.749 . . . . 0.0 111.692 -172.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 41.8 t -63.31 133.45 54.17 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.824 0.85 . . . . 0.0 112.12 -177.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -177.0 -178.35 46.67 Favored Glycine 0 CA--C 1.535 1.338 0 O-C-N 119.083 -2.26 . . . . 0.0 113.854 -2.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -177.46 -177.24 46.17 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.378 1.466 . . . . 0.0 112.606 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -176.73 -6.3 0.02 OUTLIER Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.943 1.537 . . . . 0.0 116.943 -179.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 34.8 p -76.67 165.54 24.62 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.035 1.918 . . . . 0.0 112.334 173.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -33.64 72.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.561 0.745 . . . . 0.0 111.732 170.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -66.95 -38.95 87.08 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.367 -0.833 . . . . 0.0 112.347 174.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -63.18 -47.87 80.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.207 0.912 . . . . 0.0 112.236 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.07 -40.16 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 118.936 -0.554 . . . . 0.0 112.055 175.281 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.72 -44.76 93.61 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.212 0.915 . . . . 0.0 111.795 174.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -62.09 -53.14 59.63 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.004 0.922 . . . . 0.0 112.405 178.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.2 -42.41 84.21 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.965 -0.459 . . . . 0.0 112.015 -175.263 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.6 tp -74.4 -24.34 59.1 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.01 67.51 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.981 -1.075 . . . . 0.0 113.095 166.239 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -66.54 -45.95 77.73 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.921 -1.112 . . . . 0.0 112.394 -177.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 73.7 p -61.68 -42.08 98.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 171.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.65 -38.79 86.02 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.52 1.128 . . . . 0.0 112.753 175.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 90.5 m -60.86 -40.62 93.62 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.377 -0.827 . . . . 0.0 111.438 173.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -72.7 -34.18 66.96 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.276 -0.89 . . . . 0.0 112.895 177.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.07 -50.72 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.224 0.92 . . . . 0.0 109.991 171.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -61.84 -41.06 97.36 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.56 0.744 . . . . 0.0 112.785 177.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -59.5 -46.33 89.13 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.382 1.073 . . . . 0.0 112.489 174.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 -47.5 83.76 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.572 0.749 . . . . 0.0 111.915 176.473 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -64.98 -39.7 93.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.616 0.766 . . . . 0.0 112.325 -179.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.38 94.39 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.522 0.729 . . . . 0.0 112.291 174.204 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.73 84.83 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.543 -0.723 . . . . 0.0 112.719 177.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.15 -41.14 97.99 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.856 1.262 . . . . 0.0 112.006 177.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -67.82 -46.86 70.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.561 0.744 . . . . 0.0 111.827 174.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.6 98.45 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.227 -0.921 . . . . 0.0 112.64 -175.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.04 -36.76 82.79 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.491 0.587 . . . . 0.0 112.12 176.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -69.9 -33.55 72.35 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.15 1.341 . . . . 0.0 113.008 179.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -74.56 -24.99 59.01 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.12 0.968 . . . . 0.0 112.915 174.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -77.46 -43.26 32.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.41 0.684 . . . . 0.0 111.797 168.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -88.77 39.12 0.91 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.573 2.349 . . . . 0.0 112.387 176.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -68.14 -2.08 7.26 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -167.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.225 1.81 . . . . 0.0 110.043 162.417 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.526 0 CA-C-O 119.917 -0.379 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.21 149.54 81.62 Favored 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 123.75 2.967 . . . . 0.0 112.429 178.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.2 -168.31 27.14 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.575 1.559 . . . . 0.0 113.18 -175.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -76.82 170.07 17.15 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.873 2.469 . . . . 0.0 113.601 -4.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -137.83 153.67 49.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.779 1.632 . . . . 0.0 111.761 178.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -89.41 10.55 22.14 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.134 1.374 . . . . 0.0 114.005 170.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.56 103.35 9.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.171 2.188 . . . . 0.0 112.494 -173.107 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.64 36.56 21.11 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.059 1.744 . . . . 0.0 114.621 173.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -57.35 151.25 38.89 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 124.851 1.26 . . . . 0.0 112.001 174.062 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.97 160.18 50.57 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.932 2.421 . . . . 0.0 113.009 -173.31 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.06 -31.28 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -171.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -65.56 -30.97 71.78 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.304 -0.872 . . . . 0.0 112.693 176.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -73.07 -53.4 11.18 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.156 -0.965 . . . . 0.0 111.519 177.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.73 -31.85 73.16 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.377 -0.827 . . . . 0.0 112.475 178.111 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -62.9 -57.34 11.15 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.348 1.059 . . . . 0.0 111.677 170.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.53 73.29 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.913 -1.117 . . . . 0.0 113.147 -178.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.67 -46.8 83.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.993 0.815 . . . . 0.0 111.823 176.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.33 -33.71 76.33 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.329 0.968 . . . . 0.0 112.211 -179.022 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -69.21 -54.27 15.68 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.57 -0.706 . . . . 0.0 110.677 174.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.95 -42.34 93.86 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.236 1.815 . . . . 0.0 112.603 -176.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -17.04 58.24 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -176.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.2 mtt -84.85 -6.28 59.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.671 1.188 . . . . 0.0 112.814 164.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.61 11.94 82.36 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.595 1.569 . . . . 0.0 114.843 -177.018 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -83.86 122.25 28.44 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.52 1.528 . . . . 0.0 110.915 177.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -86.41 -7.67 58.26 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.576 1.15 . . . . 0.0 114.003 176.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.94 161.71 42.11 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.725 1.155 . . . . 0.0 113.564 176.083 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.6 -143.16 41.76 Favored Glycine 0 CA--C 1.537 1.41 0 O-C-N 121.878 -0.778 . . . . 0.0 114.317 176.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.25 4.15 71.66 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.382 1.468 . . . . 0.0 115.218 178.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.4 t -95.85 136.63 36.02 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.128 0.971 . . . . 0.0 110.433 167.315 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.43 138.79 49.04 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 123.703 0.668 . . . . 0.0 113.203 -179.318 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.61 132.94 29.79 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 122.107 -0.643 . . . . 0.0 114.09 -172.086 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.55 -43.22 1.26 Allowed Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.337 1.446 . . . . 0.0 113.862 177.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 t -80.8 158.24 25.5 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.667 1.187 . . . . 0.0 112.096 171.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -31.16 66.06 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.719 1.207 . . . . 0.0 112.427 167.732 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -68.28 -38.83 82.1 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.29 -0.881 . . . . 0.0 111.642 174.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -65.82 -46.39 78.8 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.393 -0.817 . . . . 0.0 111.628 -178.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.85 -41.59 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.708 0.803 . . . . 0.0 111.505 178.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -60.95 -46.1 92.07 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.389 0.995 . . . . 0.0 111.73 173.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -64.86 -48.81 72.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.106 0.962 . . . . 0.0 112.609 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.05 -45.76 92.15 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.99 0.814 . . . . 0.0 111.82 178.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 tp -74.1 -34.99 64.14 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.366 0.666 . . . . 0.0 112.169 -175.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.15 82.67 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.724 0.809 . . . . 0.0 112.863 171.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -58.97 -45.8 89.65 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.495 1.118 . . . . 0.0 111.114 173.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 t -62.11 -48.46 80.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.184 0.994 . . . . 0.0 112.58 175.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.78 -42.55 97.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.014 0.926 . . . . 0.0 112.865 176.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.5 m -60.09 -37.73 80.84 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.46 -0.775 . . . . 0.0 111.502 178.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -70.14 -32.56 70.61 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.34 -50.79 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.368 0.985 . . . . 0.0 109.677 171.759 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.36 -41.59 97.31 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.595 1.158 . . . . 0.0 111.954 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -63.5 -42.12 98.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.987 0.915 . . . . 0.0 112.584 175.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.08 -45.72 87.43 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.695 0.798 . . . . 0.0 112.488 175.015 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.16 -42.9 99.7 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 118.933 -0.555 . . . . 0.0 111.974 176.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.87 96.48 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.369 0.668 . . . . 0.0 112.415 175.154 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.49 -45.29 87.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.368 0.667 . . . . 0.0 112.779 178.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.37 -41.3 96.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.442 1.097 . . . . 0.0 111.549 177.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -66.39 -42.53 87.74 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.259 0.624 . . . . 0.0 112.024 176.133 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.1 95.26 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.795 0.838 . . . . 0.0 113.202 -177.043 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.92 -33.43 72.16 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.731 -0.606 . . . . 0.0 112.491 175.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -72.89 -39.34 66.46 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.084 0.856 . . . . 0.0 112.986 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -73.91 -30.71 62.73 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.79 0.723 . . . . 0.0 112.63 176.06 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.19 91.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.834 0.854 . . . . 0.0 112.546 176.146 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -77.38 -3.28 39.38 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -177.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -123.79 7.33 8.75 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.093 1.757 . . . . 0.0 114.378 177.06 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 . . . . . 0 C--O 1.256 1.421 0 C-N-CA 126.004 1.721 . . . . 0.0 113.335 -179.565 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.506 0 CA-C-O 119.915 -0.38 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.83 157.29 55.43 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.274 3.316 . . . . 0.0 113.362 -178.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.87 -178.73 45.72 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.013 1.292 . . . . 0.0 115.085 178.005 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 80.4 p -77.68 163.58 26.06 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.503 1.521 . . . . 0.0 112.607 176.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -132.81 154.65 50.08 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.777 1.631 . . . . 0.0 111.385 176.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 29.6 t0 55.91 31.01 17.0 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.526 1.53 . . . . 0.0 113.812 -173.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.71 -18.34 59.63 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.464 1.106 . . . . 0.0 113.864 -179.116 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.98 1.28 28.08 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.535 1.534 . . . . 0.0 114.989 -175.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 pp -55.58 151.16 22.24 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 124.957 1.303 . . . . 0.0 112.603 173.505 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -66.01 159.22 50.27 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.148 2.565 . . . . 0.0 112.757 -171.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 8.1 tt -60.29 -30.03 45.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -174.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.21 -33.37 75.84 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.597 -0.69 . . . . 0.0 112.401 175.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -77.66 -47.2 19.82 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.602 0.761 . . . . 0.0 111.93 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.68 -32.15 73.28 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.656 -1.278 . . . . 0.0 112.445 175.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.7 t -59.94 -46.33 89.74 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.967 0.907 . . . . 0.0 112.175 166.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.69 99.49 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.086 -1.009 . . . . 0.0 111.623 176.207 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.12 -46.5 88.78 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.5 0.72 . . . . 0.0 112.462 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.95 -33.68 75.13 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.522 1.51 . . . . 0.0 112.797 177.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -69.8 -38.37 76.61 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.56 0.744 . . . . 0.0 111.872 174.114 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -64.31 -40.67 96.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.076 1.35 . . . . 0.0 112.098 171.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -65.58 -34.25 77.81 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 175.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 70.5 mtm -77.7 -20.72 53.13 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 172.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 66.32 33.29 84.55 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 118.935 0.789 . . . . 0.0 112.616 -163.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -65.18 137.7 57.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.591 1.557 . . . . 0.0 112.671 -172.568 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -86.07 -11.18 53.46 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.96 0.904 . . . . 0.0 113.036 172.224 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -72.34 163.42 54.63 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.965 1.269 . . . . 0.0 113.442 170.265 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -171.96 170.15 43.16 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.133 0.873 . . . . 0.0 114.279 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.6 -5.48 45.45 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.912 1.244 . . . . 0.0 115.727 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 15.0 t -77.76 155.45 31.17 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.838 1.255 . . . . 0.0 112.464 176.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 168.35 -140.21 6.08 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.145 1.355 . . . . 0.0 111.244 -175.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -61.33 132.09 47.9 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 117.257 0.528 . . . . 0.0 111.891 170.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 174.59 -140.45 5.38 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 117.663 0.732 . . . . 0.0 114.053 -172.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 36.9 t -64.82 160.66 19.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.389 1.475 . . . . 0.0 112.627 176.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -33.82 53.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.272 1.029 . . . . 0.0 111.898 164.483 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -67.39 -30.17 69.88 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.743 0.817 . . . . 0.0 112.881 176.086 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -77.14 -48.24 18.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.154 0.982 . . . . 0.0 112.011 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.78 -42.02 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.909 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -48.05 80.06 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.868 0.758 . . . . 0.0 112.36 177.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -68.06 -49.45 61.28 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.815 -0.553 . . . . 0.0 111.784 178.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 26.6 tp -66.99 -41.39 86.82 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.622 -0.674 . . . . 0.0 112.808 -173.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.7 tp -69.93 -37.26 75.84 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.869 0.868 . . . . 0.0 112.652 176.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.07 -39.08 86.77 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 175.18 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -62.91 -46.58 87.16 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.289 0.949 . . . . 0.0 111.655 175.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 23.1 t -58.19 -47.11 84.44 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.6 -41.9 98.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.957 0.903 . . . . 0.0 112.303 177.434 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.2 m -63.07 -36.73 84.55 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.333 -0.854 . . . . 0.0 112.111 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -64.39 -33.32 75.58 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.236 -0.915 . . . . 0.0 113.087 177.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.82 -47.68 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.157 -0.965 . . . . 0.0 110.281 173.222 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.36 -32.22 73.01 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.579 1.152 . . . . 0.0 113.005 -175.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -60.19 -46.34 90.04 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.764 0.826 . . . . 0.0 111.927 170.059 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 -39.59 72.51 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 178.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -59.32 -43.62 92.66 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.335 0.97 . . . . 0.0 111.828 172.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.59 94.35 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.474 0.71 . . . . 0.0 112.707 176.299 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.68 97.75 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.696 0.68 . . . . 0.0 112.819 175.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.61 -44.22 91.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.914 0.886 . . . . 0.0 111.092 176.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -63.39 -36.35 83.44 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.077 -1.014 . . . . 0.0 112.566 175.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.35 67.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.068 0.947 . . . . 0.0 113.348 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.96 -34.89 69.35 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.015 0.825 . . . . 0.0 112.678 177.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -64.71 -40.75 95.89 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.878 0.763 . . . . 0.0 112.17 -178.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.36 -12.75 60.02 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 176.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -89.03 -45.91 9.26 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.792 1.237 . . . . 0.0 112.829 175.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 46.1 mtt-85 -71.22 -9.99 59.01 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -173.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -72.81 -8.99 58.12 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.981 1.712 . . . . 0.0 114.979 175.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 . . . . . 0 C--O 1.255 1.351 0 C-N-CA 125.935 1.694 . . . . 0.0 113.52 -179.769 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -64.46 156.06 62.59 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 124.239 3.292 . . . . 0.0 112.973 178.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.21 9.76 84.2 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.2 0.905 . . . . 0.0 115.219 -177.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.5 t -144.64 130.68 19.41 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.485 1.514 . . . . 0.0 110.574 176.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -145.68 167.62 22.68 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.571 1.549 . . . . 0.0 111.886 -166.255 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -74.53 83.82 2.02 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.761 1.224 . . . . 0.0 111.399 177.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.41 136.26 22.11 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.751 1.62 . . . . 0.0 110.433 177.112 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 56.47 25.34 9.57 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.953 1.701 . . . . 0.0 114.599 -178.02 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.7 156.89 76.89 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 125.537 1.535 . . . . 0.0 111.948 172.198 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -62.24 154.49 62.81 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.168 2.578 . . . . 0.0 113.633 -173.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.3 tt -70.28 -27.14 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -164.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -69.55 -29.75 67.4 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.684 -0.635 . . . . 0.0 112.26 173.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -71.71 -52.06 19.73 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.016 0.927 . . . . 0.0 111.733 178.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.46 -34.38 78.16 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.542 -0.724 . . . . 0.0 112.23 177.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.2 t -62.31 -42.82 99.68 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.401 1.08 . . . . 0.0 112.524 169.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.38 95.18 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.001 -1.062 . . . . 0.0 111.873 174.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.61 -45.48 92.7 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 112.637 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.47 -35.05 78.42 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.141 1.337 . . . . 0.0 112.603 178.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -64.99 -46.37 81.73 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.653 0.781 . . . . 0.0 111.614 172.188 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -64.73 -33.1 75.17 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.225 1.01 . . . . 0.0 112.644 178.166 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -60.74 -37.76 82.84 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.195 0.907 . . . . 0.0 112.962 171.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.6 mtm -87.46 4.26 44.01 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.99 1.316 . . . . 0.0 114.176 173.012 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.31 15.15 76.95 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.6 1.095 . . . . 0.0 115.527 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -71.11 109.65 5.31 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.555 1.178 . . . . 0.0 111.024 176.202 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -72.87 -7.93 53.2 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.43 1.492 . . . . 0.0 114.395 -179.144 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.09 -23.01 71.1 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.211 0.91 . . . . 0.0 115.142 179.396 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.08 171.68 21.32 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.872 1.225 . . . . 0.0 115.241 177.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.36 132.46 52.57 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.247 0.927 . . . . 0.0 114.309 -171.112 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 p -107.55 -27.6 10.28 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.824 1.65 . . . . 0.0 112.709 179.343 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.85 -178.94 28.13 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.521 1.058 . . . . 0.0 114.261 -177.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.41 172.36 53.73 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.557 1.075 . . . . 0.0 113.927 178.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.2 -113.74 0.47 Allowed Glycine 0 CA--C 1.532 1.148 0 C-N-CA 123.973 0.796 . . . . 0.0 113.011 -179.181 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.2 t -66.9 163.55 19.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.529 1.131 . . . . 0.0 112.074 174.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -33.95 56.07 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.654 1.182 . . . . 0.0 112.012 169.393 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.55 -32.84 74.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.628 0.771 . . . . 0.0 112.994 176.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -73.85 -46.18 46.57 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.595 0.758 . . . . 0.0 111.617 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 tt -65.7 -40.97 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.89 176.245 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -59.34 -45.48 91.27 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.773 1.169 . . . . 0.0 111.806 175.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -64.91 -51.59 61.06 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.68 -42.34 95.41 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.935 0.788 . . . . 0.0 112.897 -178.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 tp -77.15 -24.29 51.57 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.052 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.81 -38.34 62.11 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.331 -0.855 . . . . 0.0 113.033 164.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -57.98 -53.32 59.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.97 1.308 . . . . 0.0 112.381 178.221 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.9 p -64.01 -39.08 93.3 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.134 0.573 . . . . 0.0 112.177 177.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.94 -40.3 95.07 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.137 0.975 . . . . 0.0 112.32 174.008 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.1 m -61.52 -41.94 98.07 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.265 -0.897 . . . . 0.0 111.62 175.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.45 -34.18 76.67 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.44 -0.787 . . . . 0.0 113.047 177.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.8 mt -58.44 -49.9 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 119.228 0.922 . . . . 0.0 109.554 169.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -60.43 -38.14 83.15 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.844 -179.265 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -62.59 -53.43 54.74 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.451 1.023 . . . . 0.0 112.009 173.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.47 -34.99 63.28 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -171.192 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -60.9 -46.86 88.95 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.119 0.872 . . . . 0.0 111.542 171.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.77 97.93 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.228 0.611 . . . . 0.0 111.975 177.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.69 86.24 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.821 0.737 . . . . 0.0 112.435 178.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -62.4 -41.14 98.45 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.363 1.065 . . . . 0.0 111.669 178.341 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -67.08 -48.0 69.52 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.755 0.822 . . . . 0.0 112.464 175.394 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.66 94.57 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.11 0.964 . . . . 0.0 113.44 -173.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 pp -69.96 -38.95 76.26 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.428 0.558 . . . . 0.0 111.624 176.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -68.75 -38.73 80.32 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.878 -1.138 . . . . 0.0 112.723 -177.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -72.22 -15.31 61.93 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 175.02 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.65 -49.63 6.0 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 113.391 175.642 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -74.01 -8.66 56.94 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.561 1.544 . . . . 0.0 114.684 -171.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -69.61 -13.83 62.52 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.114 1.766 . . . . 0.0 115.733 178.157 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.773 1.629 . . . . 0.0 112.881 -179.255 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 CA-C-O 119.534 -0.592 . . . . 0.0 112.069 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -60.01 156.71 37.64 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 124.443 3.429 . . . . 0.0 114.326 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.9 17.6 80.18 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.244 0.926 . . . . 0.0 114.9 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 62.5 p -67.12 -24.33 65.91 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.448 1.499 . . . . 0.0 114.143 -177.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -143.12 144.79 32.36 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.463 1.505 . . . . 0.0 111.71 176.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -101.09 11.35 39.69 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.382 1.473 . . . . 0.0 113.827 174.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -137.94 5.18 2.57 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.036 1.734 . . . . 0.0 113.981 -175.115 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -135.1 26.77 3.54 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.847 2.059 . . . . 0.0 111.801 175.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.43 153.8 75.03 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 126.452 1.901 . . . . 0.0 112.638 -179.335 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -63.31 155.67 60.51 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.021 2.481 . . . . 0.0 113.148 -173.554 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.3 tt -63.86 -30.0 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -173.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -63.81 -35.25 80.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.232 0.613 . . . . 0.0 112.148 175.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -71.68 -52.15 19.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.201 1.001 . . . . 0.0 111.612 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.04 -32.0 73.22 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.822 0.737 . . . . 0.0 112.365 178.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t -65.99 -37.8 86.87 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.281 1.033 . . . . 0.0 112.713 173.102 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.43 72.02 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.589 -0.694 . . . . 0.0 112.088 171.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.02 -41.68 97.35 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.351 1.06 . . . . 0.0 113.139 -178.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.82 -34.78 78.95 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.742 1.61 . . . . 0.0 112.145 178.055 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.4 -40.39 73.91 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.142 0.977 . . . . 0.0 111.426 175.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -64.78 -41.43 95.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.3 1.44 . . . . 0.0 112.438 175.05 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -65.57 -30.82 71.61 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.379 -0.826 . . . . 0.0 112.54 173.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 69.3 mtm -85.82 14.39 6.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.949 1.3 . . . . 0.0 113.88 169.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.25 3.71 84.5 Favored Glycine 0 CA--C 1.537 1.424 0 N-CA-C 116.858 1.503 . . . . 0.0 116.858 167.017 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -77.59 165.88 23.74 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 119.383 1.592 . . . . 0.0 112.436 174.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -76.18 47.07 0.43 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.057 1.743 . . . . 0.0 112.48 174.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.39 -136.04 26.09 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.831 1.205 . . . . 0.0 112.329 -172.493 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -164.94 -144.54 4.09 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.464 1.03 . . . . 0.0 112.83 -178.242 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -132.64 -147.77 5.88 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.764 1.65 . . . . 0.0 112.493 175.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 37.6 m -63.67 151.36 42.05 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.133 0.973 . . . . 0.0 112.721 177.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.87 162.29 45.85 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.198 0.904 . . . . 0.0 114.754 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -70.8 162.12 53.86 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.493 1.045 . . . . 0.0 114.881 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -147.09 -28.18 0.08 OUTLIER Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.701 1.143 . . . . 0.0 115.256 178.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 41.9 t -75.24 152.61 38.29 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.507 1.153 . . . . 0.0 111.547 169.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.4 mmt -57.69 -29.61 64.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.261 0.624 . . . . 0.0 112.533 168.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.64 -39.58 88.32 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.4 -0.812 . . . . 0.0 112.204 172.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -63.82 -50.56 68.44 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.397 0.544 . . . . 0.0 111.595 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 tt -66.08 -41.42 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.362 0.665 . . . . 0.0 112.114 -178.33 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -62.76 -38.59 91.16 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.164 0.893 . . . . 0.0 112.308 175.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -69.04 -56.55 7.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.458 0.703 . . . . 0.0 112.279 176.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.6 -44.4 90.73 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.618 0.767 . . . . 0.0 112.232 -174.47 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.57 -34.38 72.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.017 0.527 . . . . 0.0 112.017 -177.299 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.74 73.59 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 170.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -61.25 -47.58 85.39 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.211 -0.93 . . . . 0.0 111.555 176.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 69.0 m -61.17 -42.48 98.64 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.57 -38.7 88.48 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.527 -0.733 . . . . 0.0 112.726 176.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 94.9 m -63.08 -39.22 94.08 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.211 -0.931 . . . . 0.0 112.052 175.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -67.55 -34.49 77.19 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.997 -1.064 . . . . 0.0 113.153 178.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.25 -50.58 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.688 -0.632 . . . . 0.0 109.865 172.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.14 -38.25 90.02 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.89 0.876 . . . . 0.0 112.344 -179.105 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 45.5 ttm180 -58.25 -47.66 82.86 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.746 1.218 . . . . 0.0 112.149 175.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.83 -42.94 80.68 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.326 0.651 . . . . 0.0 112.216 177.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -65.52 -38.64 90.28 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.61 97.18 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.232 0.613 . . . . 0.0 111.987 174.642 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.51 87.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.377 0.671 . . . . 0.0 112.132 176.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -63.82 -43.27 96.73 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.96 0.904 . . . . 0.0 111.676 178.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -63.49 -43.11 98.21 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.562 -1.336 . . . . 0.0 112.496 175.116 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.6 84.88 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -179.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.55 -33.81 35.94 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.493 0.588 . . . . 0.0 112.579 175.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.34 -29.51 69.72 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.29 1.405 . . . . 0.0 113.325 -177.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -79.2 -12.96 59.97 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.258 1.023 . . . . 0.0 113.478 170.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -99.49 -37.16 9.3 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.82 1.248 . . . . 0.0 113.305 -178.154 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -65.09 -18.49 65.35 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -179.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -86.55 -6.51 58.87 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -178.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 . . . . . 0 C--O 1.256 1.44 0 C-N-CA 125.271 1.428 . . . . 0.0 113.49 -179.421 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 CA-C-O 120.105 -0.275 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.02 157.23 62.7 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 124.034 3.156 . . . . 0.0 113.03 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.0 176.5 46.5 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.311 0.958 . . . . 0.0 113.97 173.249 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.3 m -61.66 139.46 58.29 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.277 1.031 . . . . 0.0 112.542 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -73.46 158.82 34.22 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.75 1.22 . . . . 0.0 113.372 -177.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -78.92 43.14 0.49 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.924 1.69 . . . . 0.0 113.059 -178.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.27 74.9 3.07 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.124 1.769 . . . . 0.0 113.497 -169.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.72 37.85 24.76 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.633 1.973 . . . . 0.0 114.277 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 pp -60.37 150.07 74.35 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 125.054 1.342 . . . . 0.0 112.35 177.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.22 163.8 37.32 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.125 2.55 . . . . 0.0 113.454 -172.262 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.12 -31.55 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.005 0.922 . . . . 0.0 113.483 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.56 -33.8 76.77 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.824 0.85 . . . . 0.0 112.222 175.031 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -75.2 -51.78 12.54 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.874 0.87 . . . . 0.0 111.541 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.06 -31.1 72.15 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.289 -0.882 . . . . 0.0 112.789 178.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.1 t -68.53 -34.29 75.61 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.91 0.884 . . . . 0.0 112.974 171.645 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.17 -32.87 65.11 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.536 -1.352 . . . . 0.0 113.004 170.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.67 -45.3 87.27 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.988 -1.07 . . . . 0.0 111.837 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.37 -35.54 81.26 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.052 1.296 . . . . 0.0 112.587 177.275 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -65.06 -45.23 86.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.782 0.833 . . . . 0.0 111.346 173.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -66.08 -32.44 73.9 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.632 0.773 . . . . 0.0 112.851 176.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -68.07 -31.04 70.39 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.738 -1.226 . . . . 0.0 113.339 170.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.8 mtt -80.24 -9.29 59.72 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.004 1.321 . . . . 0.0 113.594 171.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.99 10.67 78.17 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.062 1.315 . . . . 0.0 114.972 -178.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -72.87 158.02 36.33 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.059 1.344 . . . . 0.0 112.042 171.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -70.97 -0.55 9.57 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.432 1.493 . . . . 0.0 114.67 177.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.54 42.14 8.62 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 121.116 -0.99 . . . . 0.0 112.583 -172.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.32 -163.93 10.36 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.511 1.529 . . . . 0.0 115.501 -176.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.66 166.31 41.83 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.026 1.298 . . . . 0.0 114.863 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.9 p -157.64 169.33 24.9 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.805 1.642 . . . . 0.0 111.861 -179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.43 -115.92 5.9 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 123.882 0.753 . . . . 0.0 112.48 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.17 174.34 42.17 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 124.556 1.074 . . . . 0.0 114.466 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.85 -11.94 70.79 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.95 1.262 . . . . 0.0 116.204 174.691 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.5 t -82.11 160.02 23.24 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.808 1.804 . . . . 0.0 111.893 169.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -37.76 75.06 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.284 1.034 . . . . 0.0 112.394 175.597 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.43 -33.23 75.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.273 0.629 . . . . 0.0 112.554 176.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -74.06 -48.58 28.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.848 0.859 . . . . 0.0 111.584 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 tt -63.71 -39.76 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 121.722 -0.611 . . . . 0.0 112.03 176.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -58.61 -35.86 73.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.241 0.928 . . . . 0.0 112.181 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.59 -55.17 6.2 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.542 0.737 . . . . 0.0 112.14 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.6 -45.49 92.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.248 0.619 . . . . 0.0 112.404 -174.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.5 tp -72.01 -34.68 69.06 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.229 0.612 . . . . 0.0 111.904 -176.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.46 75.81 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 172.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -64.87 -42.94 94.43 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.214 -0.929 . . . . 0.0 111.979 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.7 t -60.33 -44.45 95.48 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.433 0.693 . . . . 0.0 112.214 172.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.65 -39.34 91.0 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.144 0.978 . . . . 0.0 112.74 174.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.6 m -61.54 -39.31 90.63 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.715 -1.241 . . . . 0.0 111.954 175.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -68.76 -27.95 66.36 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.791 0.836 . . . . 0.0 112.932 177.568 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.08 -55.1 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 120.579 -1.326 . . . . 0.0 109.94 168.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -62.19 -36.86 83.2 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.086 0.954 . . . . 0.0 112.448 -175.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -56.11 -51.67 67.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.607 1.563 . . . . 0.0 112.212 172.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.87 -36.59 72.86 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.485 0.714 . . . . 0.0 112.47 -178.531 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.95 -43.46 95.77 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.642 0.655 . . . . 0.0 112.654 173.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.53 98.99 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.517 0.599 . . . . 0.0 111.738 175.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.21 85.49 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 175.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -61.04 -46.15 91.89 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.744 1.218 . . . . 0.0 111.463 177.436 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -62.42 -45.3 93.73 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.74 0.816 . . . . 0.0 112.447 176.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.15 76.39 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.547 0.739 . . . . 0.0 112.828 -177.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.72 -33.84 76.53 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.041 0.837 . . . . 0.0 111.938 177.592 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.79 -40.66 79.5 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.61 1.096 . . . . 0.0 111.798 175.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -68.6 -31.94 71.47 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.407 -0.808 . . . . 0.0 112.375 175.148 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.01 -12.6 61.3 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 171.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -135.08 40.83 2.87 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.294 2.238 . . . . 0.0 110.86 -174.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -75.43 41.27 0.18 Allowed 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -164.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 127.082 2.153 . . . . 0.0 113.445 179.268 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 CA-C-O 118.642 -1.088 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -62.12 169.4 7.73 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.983 3.122 . . . . 0.0 114.379 176.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.57 7.22 67.12 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 116.382 1.313 . . . . 0.0 116.382 172.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.7 m -54.13 143.03 23.61 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.557 1.179 . . . . 0.0 112.314 175.26 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 57.17 12.04 1.21 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.207 1.803 . . . . 0.0 115.023 -178.164 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 55.12 26.84 8.7 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.226 1.81 . . . . 0.0 113.902 -166.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -142.11 -18.51 0.73 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -172.705 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.45 -14.66 58.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.459 1.103 . . . . 0.0 113.84 175.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.5 pp -58.43 153.03 40.93 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 125.24 1.416 . . . . 0.0 111.446 158.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -64.53 158.39 50.0 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.737 2.291 . . . . 0.0 112.448 -176.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 10.1 tp -57.71 -30.85 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.216 1.007 . . . . 0.0 113.331 -176.319 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -61.26 -32.11 71.93 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.751 1.22 . . . . 0.0 113.16 176.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -78.89 -54.91 5.57 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.241 1.016 . . . . 0.0 111.956 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.09 -30.06 71.15 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.112 -0.992 . . . . 0.0 112.541 179.038 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 23.2 t -70.98 -32.6 69.48 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 171.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.87 -36.49 75.54 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.886 1.221 . . . . 0.0 112.756 170.604 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.58 -44.56 93.3 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.854 0.862 . . . . 0.0 112.021 -179.262 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.15 -29.05 67.0 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.633 1.106 . . . . 0.0 113.368 178.121 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -67.66 -50.89 55.54 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.844 0.858 . . . . 0.0 110.858 175.234 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -72.98 -21.8 60.79 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -60.48 -35.97 77.18 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.898 -1.126 . . . . 0.0 112.174 165.012 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 67.7 mtm -90.03 12.78 16.64 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.499 1.52 . . . . 0.0 113.457 171.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.97 3.1 87.87 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.434 1.492 . . . . 0.0 116.233 175.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -82.6 111.23 18.39 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.133 1.466 . . . . 0.0 111.332 175.423 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -75.82 -6.04 48.8 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.092 1.357 . . . . 0.0 114.055 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -75.2 62.86 2.56 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 125.583 1.563 . . . . 0.0 114.475 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.38 179.19 43.44 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.564 1.554 . . . . 0.0 114.313 174.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.25 159.8 20.49 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.921 1.248 . . . . 0.0 113.874 -176.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 42.9 m 53.72 84.35 0.06 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.38 1.472 . . . . 0.0 113.062 -174.645 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.69 -162.26 9.14 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.819 1.2 . . . . 0.0 114.543 178.141 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.25 164.23 37.3 Favored Glycine 0 CA--C 1.538 1.476 0 O-C-N 121.821 -0.811 . . . . 0.0 114.039 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.96 -78.17 0.03 OUTLIER Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.284 0.945 . . . . 0.0 112.909 -176.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 54.8 p -76.8 167.77 21.25 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.502 0.668 . . . . 0.0 111.925 175.408 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -28.54 67.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.61 0.764 . . . . 0.0 112.971 175.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -74.36 -29.12 61.43 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.653 1.181 . . . . 0.0 112.779 176.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -75.97 -44.06 41.63 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.101 -0.999 . . . . 0.0 112.31 179.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.81 -38.94 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.848 0.859 . . . . 0.0 112.211 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -56.06 -44.64 79.1 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.928 0.785 . . . . 0.0 111.509 177.423 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -66.76 -51.88 50.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.759 0.824 . . . . 0.0 111.6 -179.18 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.29 -45.83 89.57 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.847 0.859 . . . . 0.0 112.383 -177.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.3 tp -73.13 -34.41 66.09 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.257 0.623 . . . . 0.0 111.716 -174.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.01 77.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.645 0.778 . . . . 0.0 112.762 170.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -62.16 -43.09 99.61 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.25 -0.907 . . . . 0.0 111.847 175.035 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 26.7 t -63.3 -45.52 91.01 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.618 0.767 . . . . 0.0 112.073 175.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.63 -40.76 93.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.734 1.213 . . . . 0.0 112.862 175.139 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 80.4 m -60.39 -39.23 86.55 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.566 0.746 . . . . 0.0 112.328 179.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.75 -31.52 72.21 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.424 -0.798 . . . . 0.0 112.807 177.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.5 -51.84 68.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 O-C-N 120.971 -1.081 . . . . 0.0 110.027 173.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.26 -41.33 96.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.487 1.115 . . . . 0.0 112.08 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -59.04 -48.66 80.79 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.283 1.433 . . . . 0.0 112.313 176.271 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.6 -34.25 69.7 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 179.42 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.39 -41.56 98.76 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.033 0.833 . . . . 0.0 112.481 171.26 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.36 99.26 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.38 0.672 . . . . 0.0 112.109 175.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.89 95.63 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.551 0.741 . . . . 0.0 112.284 174.38 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.05 -42.76 99.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.512 1.125 . . . . 0.0 111.477 177.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -63.58 -39.71 95.08 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.158 -0.964 . . . . 0.0 112.549 175.592 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.73 90.19 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.99 -27.68 61.09 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 176.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -61.21 -34.12 74.59 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.171 1.35 . . . . 0.0 111.599 175.625 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -70.4 -25.98 63.48 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.495 1.118 . . . . 0.0 113.245 175.07 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -82.6 -40.04 21.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.442 1.097 . . . . 0.0 112.661 173.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -76.99 -16.27 59.38 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -173.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 38.6 ptt85 -73.55 -14.21 61.17 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 178.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 . . . . . 0 N--CA 1.483 1.185 0 C-N-CA 127.579 2.352 . . . . 0.0 112.825 -173.879 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 CA-C-O 119.784 -0.454 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.93 153.24 69.86 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.384 3.389 . . . . 0.0 113.824 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.2 151.85 20.96 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.18 0.895 . . . . 0.0 113.003 177.727 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -157.02 164.3 38.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.033 1.733 . . . . 0.0 111.236 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -61.76 142.91 56.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.333 1.053 . . . . 0.0 113.01 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -148.8 164.52 34.19 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.839 1.655 . . . . 0.0 111.733 175.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.04 37.26 0.7 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.828 1.251 . . . . 0.0 112.29 -173.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.13 35.58 25.09 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.835 1.654 . . . . 0.0 113.84 -174.424 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.47 148.65 93.39 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 125.269 1.428 . . . . 0.0 112.925 -178.56 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.08 165.47 32.28 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.333 2.689 . . . . 0.0 113.472 -172.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 tp -59.79 -31.71 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.73 0.812 . . . . 0.0 112.886 178.42 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -64.66 -39.03 92.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.037 0.935 . . . . 0.0 112.796 175.625 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -70.57 -49.63 45.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.545 0.738 . . . . 0.0 111.659 -176.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.08 -32.36 73.77 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.313 -0.867 . . . . 0.0 112.507 176.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.5 m -67.87 -38.87 83.63 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.393 0.677 . . . . 0.0 112.458 172.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.24 79.63 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.888 -1.133 . . . . 0.0 112.393 172.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.17 -50.46 65.86 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.753 1.221 . . . . 0.0 112.103 175.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.85 -34.92 79.26 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.533 1.061 . . . . 0.0 112.893 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -68.21 -45.07 74.35 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.651 -0.656 . . . . 0.0 112.009 177.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.76 -29.74 64.83 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.023 0.828 . . . . 0.0 112.914 177.232 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.77 -33.19 75.29 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.904 -1.123 . . . . 0.0 112.432 169.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.7 mtm -82.21 9.66 8.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.573 1.149 . . . . 0.0 113.959 170.07 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.92 15.04 81.33 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.748 1.166 . . . . 0.0 115.875 171.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -64.84 139.59 58.78 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 118.873 1.337 . . . . 0.0 111.75 175.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.19 -10.12 59.22 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.355 1.462 . . . . 0.0 114.151 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.69 -154.76 7.51 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.931 1.729 . . . . 0.0 111.911 176.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.41 138.87 5.11 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.724 0.678 . . . . 0.0 113.591 174.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.84 179.08 51.23 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.992 1.282 . . . . 0.0 113.696 174.137 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 t -64.87 145.77 55.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.086 0.954 . . . . 0.0 112.273 173.522 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.01 126.51 10.41 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.15 0.881 . . . . 0.0 112.052 175.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.07 173.09 53.01 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.038 0.828 . . . . 0.0 115.068 -175.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.07 -147.34 18.09 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 127.531 2.491 . . . . 0.0 112.764 -3.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 t -66.43 163.26 18.73 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.494 1.118 . . . . 0.0 111.127 167.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.9 mmt -53.69 -32.74 53.01 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.236 1.014 . . . . 0.0 112.741 170.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.89 -31.09 72.16 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.044 0.938 . . . . 0.0 113.443 172.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -79.97 -47.91 14.22 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.223 1.009 . . . . 0.0 112.335 -178.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.09 -37.35 78.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.004 174.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.52 -46.01 84.33 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.563 1.074 . . . . 0.0 111.548 174.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -66.68 -54.65 20.89 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.627 0.649 . . . . 0.0 112.076 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.56 -44.09 97.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.89 0.876 . . . . 0.0 111.898 -174.261 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.1 tp -76.29 -25.88 55.33 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -176.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -36.15 59.11 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.301 -0.874 . . . . 0.0 112.766 169.423 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -61.98 -51.32 68.54 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.359 1.064 . . . . 0.0 111.734 -179.331 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -62.96 -37.0 85.34 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.588 0.755 . . . . 0.0 112.888 175.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -60.93 -42.6 98.46 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.087 -1.008 . . . . 0.0 112.265 172.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -59.42 -38.68 81.24 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.463 -0.773 . . . . 0.0 112.013 178.378 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.91 -34.44 77.78 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.946 -1.096 . . . . 0.0 113.053 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.87 -46.51 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.313 -0.867 . . . . 0.0 110.015 172.711 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.06 -39.51 94.23 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.502 1.121 . . . . 0.0 112.062 179.267 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -62.92 -46.55 87.25 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.157 0.89 . . . . 0.0 112.515 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.43 -38.04 83.93 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.338 0.517 . . . . 0.0 112.068 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -64.71 -40.16 94.88 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 173.009 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.14 97.45 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.296 0.639 . . . . 0.0 112.174 174.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.49 94.93 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.615 0.766 . . . . 0.0 112.218 175.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.57 -43.51 96.82 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.954 0.902 . . . . 0.0 111.257 174.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -62.03 -41.83 98.52 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.699 -1.251 . . . . 0.0 112.515 175.151 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.21 93.52 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.45 1.1 . . . . 0.0 113.694 -177.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 pp -76.93 -38.67 52.95 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.018 0.826 . . . . 0.0 111.644 173.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.37 -41.58 96.62 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.078 -1.014 . . . . 0.0 112.519 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -10.14 59.32 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 177.723 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.96 -46.28 5.97 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.188 1.395 . . . . 0.0 112.631 173.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -75.93 -6.27 50.11 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -175.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -71.62 -8.8 56.34 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.271 1.829 . . . . 0.0 115.279 173.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 . . . . . 0 C--O 1.255 1.359 0 C-N-CA 125.513 1.525 . . . . 0.0 113.398 -178.032 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.438 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -68.48 148.91 74.06 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.276 2.65 . . . . 0.0 111.085 173.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.05 9.16 79.87 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 115.744 1.058 . . . . 0.0 115.744 178.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 73.2 p -137.36 116.94 12.93 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.315 1.446 . . . . 0.0 110.717 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -143.39 159.64 42.01 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.937 1.295 . . . . 0.0 111.99 -169.525 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -75.37 14.92 0.51 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -176.654 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.25 -23.96 59.22 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.116 1.767 . . . . 0.0 113.689 169.299 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.49 10.08 7.96 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -174.355 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.21 155.46 17.47 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 125.474 1.509 . . . . 0.0 112.624 172.244 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -64.68 164.94 22.19 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.33 2.686 . . . . 0.0 114.155 -172.012 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.7 tt -64.16 -32.33 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -168.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -65.66 -35.24 80.22 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.064 -1.023 . . . . 0.0 112.018 172.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -76.14 -42.69 45.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.035 0.934 . . . . 0.0 112.581 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.76 -30.9 70.47 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 121.038 1.744 . . . . 0.0 111.978 176.007 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 44.7 t -66.35 -41.48 89.49 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.484 0.713 . . . . 0.0 112.087 168.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.04 89.09 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.942 -1.099 . . . . 0.0 112.291 173.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.82 -46.29 75.62 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.832 1.253 . . . . 0.0 112.624 179.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.31 -34.37 78.18 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.869 1.213 . . . . 0.0 111.231 177.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -67.4 -39.05 85.54 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.781 0.832 . . . . 0.0 112.545 171.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -64.97 -34.96 79.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.82 1.248 . . . . 0.0 112.3 176.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -61.8 -26.34 68.04 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.223 -0.923 . . . . 0.0 113.344 170.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 38.5 mtt -95.93 -1.42 49.24 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.055 1.742 . . . . 0.0 113.412 175.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 88.28 4.26 77.7 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.907 1.718 . . . . 0.0 116.304 179.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -91.72 142.36 27.69 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.674 1.59 . . . . 0.0 111.614 173.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -133.64 5.52 3.69 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.16 1.384 . . . . 0.0 114.244 175.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -99.09 -32.14 5.96 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.549 1.071 . . . . 0.0 115.172 -178.007 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.0 -2.87 83.46 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 116.74 1.456 . . . . 0.0 116.74 -171.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -63.92 111.17 3.92 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-N 119.056 1.428 . . . . 0.0 113.382 -174.05 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 43.5 t -166.49 136.56 3.22 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.771 1.629 . . . . 0.0 111.297 -177.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.57 80.57 1.3 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.689 1.138 . . . . 0.0 113.426 174.074 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -64.32 132.13 38.75 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 123.976 0.798 . . . . 0.0 113.249 177.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -92.41 -17.8 44.55 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 116.805 1.482 . . . . 0.0 116.805 -170.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 22.0 t -86.48 154.65 20.96 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.134 1.467 . . . . 0.0 112.282 178.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -38.4 70.68 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.797 1.239 . . . . 0.0 112.57 177.077 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.28 -20.59 65.66 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.199 1.0 . . . . 0.0 113.518 176.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -78.65 -56.28 4.54 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.104 0.961 . . . . 0.0 110.189 174.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 6.7 tt -63.41 -37.03 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.253 1.021 . . . . 0.0 112.215 -178.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.09 -29.92 68.9 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.956 1.253 . . . . 0.0 112.912 175.405 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -79.32 -53.88 6.5 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.862 0.756 . . . . 0.0 111.769 173.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.33 -46.13 91.0 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.823 0.849 . . . . 0.0 112.864 -176.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 20.9 tp -75.82 -22.33 56.41 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.446 1.098 . . . . 0.0 113.236 -176.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.28 -33.44 49.5 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.048 -1.033 . . . . 0.0 112.663 167.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -65.49 -42.59 91.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.101 0.96 . . . . 0.0 112.599 -178.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 72.1 p -64.13 -42.52 96.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.221 0.608 . . . . 0.0 111.941 172.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.78 -40.46 88.33 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.851 1.26 . . . . 0.0 112.247 174.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 53.4 m -60.03 -41.83 93.07 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.234 -0.916 . . . . 0.0 112.144 173.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.92 -32.24 70.43 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 176.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.11 -53.22 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 120.745 -1.222 . . . . 0.0 110.024 169.582 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.64 -40.5 95.1 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.85 0.86 . . . . 0.0 112.251 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -60.54 -44.95 95.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.952 1.301 . . . . 0.0 112.892 175.056 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.43 -35.07 65.74 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.688 0.676 . . . . 0.0 112.512 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -60.64 -44.79 95.98 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.731 0.696 . . . . 0.0 111.694 170.242 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.43 98.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.341 0.657 . . . . 0.0 112.191 176.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.38 95.55 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.738 0.815 . . . . 0.0 112.786 177.663 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -63.14 -38.69 92.16 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.528 1.131 . . . . 0.0 112.345 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -70.99 -41.18 71.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.516 0.726 . . . . 0.0 112.523 175.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.38 95.06 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.085 0.954 . . . . 0.0 113.451 -174.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.3 -28.03 66.82 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 175.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.35 -47.77 63.33 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.379 1.072 . . . . 0.0 112.187 -175.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -74.01 -26.78 60.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.083 0.953 . . . . 0.0 113.1 178.46 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.28 77.65 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.738 0.815 . . . . 0.0 112.935 -176.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -80.22 0.34 32.97 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.329 1.452 . . . . 0.0 114.559 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -140.15 20.81 2.44 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.477 1.911 . . . . 0.0 113.835 -177.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.849 1.66 . . . . 0.0 113.26 177.663 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo . . . . . 0 CA--C 1.535 0.571 0 CA-C-O 121.834 0.681 . . . . 0.0 113.65 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 tp -59.65 -31.31 46.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.373 1.069 . . . . 0.0 113.793 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.21 -37.29 86.83 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.348 -0.845 . . . . 0.0 112.473 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -72.69 -49.88 28.54 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.367 0.667 . . . . 0.0 112.098 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -67.81 -31.97 72.19 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.124 0.875 . . . . 0.0 112.302 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.9 t -62.5 -49.59 74.75 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.693 0.797 . . . . 0.0 111.812 168.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.18 90.11 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.323 -0.861 . . . . 0.0 111.74 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.53 -51.34 65.89 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.002 -0.999 . . . . 0.0 112.475 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.96 -33.85 76.75 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.689 1.586 . . . . 0.0 112.545 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -71.2 -35.3 71.5 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.465 0.706 . . . . 0.0 112.731 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.3 -38.18 81.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.105 1.362 . . . . 0.0 112.187 171.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -62.65 -27.38 69.18 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.218 -0.926 . . . . 0.0 113.171 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 66.8 mtm -96.06 3.22 53.54 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.349 1.46 . . . . 0.0 114.083 172.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.537 0 C-N-CA 125.354 1.454 . . . . 0.0 115.143 175.318 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 120.845 0.355 . . . . 0.0 111.803 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -67.39 -38.59 84.94 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.077 -1.015 . . . . 0.0 112.175 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -61.81 -50.52 71.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.212 1.005 . . . . 0.0 111.924 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.01 -43.27 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 112.16 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -59.2 -44.31 92.23 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.706 1.139 . . . . 0.0 112.123 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -64.71 -48.64 73.93 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.637 0.653 . . . . 0.0 112.387 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.51 -47.48 85.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.757 0.708 . . . . 0.0 112.258 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -78.02 -23.58 48.17 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -173.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.7 -39.67 66.83 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.371 -0.831 . . . . 0.0 112.216 165.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -62.91 -46.75 86.32 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.919 0.887 . . . . 0.0 112.147 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.2 p -62.9 -41.59 99.49 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.19 -41.46 99.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.228 1.011 . . . . 0.0 112.49 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.3 m -60.94 -41.08 95.54 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.3 -0.875 . . . . 0.0 111.815 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -67.28 -34.86 78.29 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.032 -1.042 . . . . 0.0 113.064 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.9 mt -57.42 -52.1 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.524 -0.735 . . . . 0.0 109.931 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.28 -37.88 89.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.826 0.85 . . . . 0.0 112.562 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -58.86 -48.31 81.8 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.727 1.211 . . . . 0.0 111.985 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.63 -41.42 83.95 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.411 0.684 . . . . 0.0 112.35 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.57 -41.42 96.3 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.866 0.757 . . . . 0.0 112.788 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.77 91.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.439 0.696 . . . . 0.0 112.3 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.29 84.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.336 0.654 . . . . 0.0 112.178 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 125.486 1.514 . . . . 0.0 111.531 177.32 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 CA--C 1.536 0.613 0 CA-C-O 122.009 0.754 . . . . 0.0 112.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.31 -30.36 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -63.72 -36.86 85.26 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.409 0.684 . . . . 0.0 112.016 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -71.37 -51.52 23.71 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.261 -0.899 . . . . 0.0 111.793 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.48 -32.15 73.67 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.712 -0.617 . . . . 0.0 112.492 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 55.2 m -70.11 -41.05 74.49 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.786 0.834 . . . . 0.0 112.801 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.58 -34.51 78.41 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.082 -1.011 . . . . 0.0 112.272 172.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.17 -49.25 68.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.103 0.961 . . . . 0.0 111.937 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.53 -32.91 74.56 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.631 1.56 . . . . 0.0 112.943 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -68.15 -44.33 76.25 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.798 0.726 . . . . 0.0 112.56 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.42 -25.44 59.44 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.84 -38.83 89.68 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.993 -1.067 . . . . 0.0 112.413 165.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 75.1 mtm . . . . . 0 CA--C 1.548 0.897 0 C-N-CA 124.822 1.249 . . . . 0.0 113.915 171.508 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -36.42 69.98 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.458 -0.776 . . . . 0.0 112.674 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -65.66 -31.64 72.77 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.07 0.948 . . . . 0.0 113.016 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -70.34 -49.55 48.18 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.276 -0.89 . . . . 0.0 111.008 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 10.2 tt -67.84 -40.41 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.61 0.764 . . . . 0.0 112.23 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -60.34 -27.68 67.56 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.936 1.243 . . . . 0.0 112.965 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -78.88 -63.19 1.47 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.958 0.799 . . . . 0.0 112.053 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.2 -39.44 86.33 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.588 0.631 . . . . 0.0 112.621 -169.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.2 -23.14 61.21 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.86 -40.45 24.78 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.165 0.986 . . . . 0.0 112.656 170.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -62.73 -47.99 81.17 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.983 0.913 . . . . 0.0 111.703 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 61.6 p -60.81 -39.02 87.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.51 -41.33 98.76 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.754 -1.216 . . . . 0.0 112.748 171.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.1 m -60.69 -40.09 90.91 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.317 -0.865 . . . . 0.0 111.555 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -66.7 -32.6 74.02 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.268 -0.895 . . . . 0.0 112.768 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.57 -53.66 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.697 1.135 . . . . 0.0 110.148 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.69 -39.79 89.79 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.755 0.822 . . . . 0.0 112.513 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -56.61 -52.42 64.92 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.821 1.648 . . . . 0.0 112.009 173.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.83 -32.12 63.55 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -61.33 -45.87 92.6 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.183 0.902 . . . . 0.0 112.124 168.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.0 97.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.097 0.559 . . . . 0.0 112.183 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.56 83.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.453 0.701 . . . . 0.0 112.692 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -61.26 -44.87 96.54 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.77 1.228 . . . . 0.0 111.533 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 123.639 0.776 . . . . 0.0 112.324 176.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 CA--C 1.54 0.778 0 CA-C-O 121.882 0.701 . . . . 0.0 113.769 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.38 -29.5 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -167.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -71.72 -17.56 62.2 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -80.35 -61.03 2.1 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.389 0.995 . . . . 0.0 111.005 169.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.34 -36.64 80.75 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -71.05 -31.74 68.26 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.731 0.812 . . . . 0.0 112.524 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.87 -36.84 62.28 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.281 0.946 . . . . 0.0 111.886 171.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.23 -44.58 87.76 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.394 1.077 . . . . 0.0 112.174 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.52 -34.38 78.13 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.419 1.463 . . . . 0.0 112.337 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -64.2 -45.64 87.4 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.794 0.838 . . . . 0.0 111.124 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -64.94 -40.64 95.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.65 1.58 . . . . 0.0 112.992 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -65.23 -33.2 75.42 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.368 -0.832 . . . . 0.0 112.653 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.0 mtm -81.86 5.71 18.0 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.803 1.241 . . . . 0.0 113.815 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.279 0 C-N-CA 125.655 1.598 . . . . 0.0 116.725 172.662 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -70.93 -42.31 70.04 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.274 -0.891 . . . . 0.0 112.321 170.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -64.7 -47.49 78.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.751 1.221 . . . . 0.0 112.603 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 tt -61.2 -41.72 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.539 0.736 . . . . 0.0 112.093 175.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -62.65 -47.91 81.63 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.342 0.974 . . . . 0.0 111.174 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -64.36 -36.93 85.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.429 0.691 . . . . 0.0 112.436 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.3 mt -66.5 -52.0 50.65 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.626 0.648 . . . . 0.0 111.692 172.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.56 -23.78 58.82 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.085 0.954 . . . . 0.0 113.471 -170.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.34 89.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.619 0.768 . . . . 0.0 112.996 171.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -68.17 -44.86 75.0 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.582 0.753 . . . . 0.0 112.137 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.9 p -64.27 -40.43 95.97 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.5 -44.23 97.45 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.699 -1.25 . . . . 0.0 111.778 172.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.1 m -59.81 -39.6 85.55 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 121.548 -0.72 . . . . 0.0 111.726 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.91 -35.76 79.03 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.518 -0.739 . . . . 0.0 112.886 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.4 -49.33 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.631 1.105 . . . . 0.0 109.829 172.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -58.83 -43.95 90.81 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.203 0.601 . . . . 0.0 111.818 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -48.5 78.93 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.65 1.18 . . . . 0.0 111.861 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.43 -45.52 83.53 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.492 0.717 . . . . 0.0 112.535 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -62.07 -44.0 97.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.666 0.666 . . . . 0.0 111.859 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.26 95.94 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.172 0.589 . . . . 0.0 112.127 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -48.44 76.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.859 0.863 . . . . 0.0 112.035 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 . . . . . 0 CA--C 1.542 0.658 0 C-N-CA 124.747 1.219 . . . . 0.0 111.597 177.77 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 CA--C 1.538 0.683 0 CA-C-O 121.425 0.51 . . . . 0.0 113.052 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.7 tt -57.66 -34.01 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -172.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -60.19 -30.34 69.29 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.787 0.835 . . . . 0.0 112.608 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -79.92 -58.52 3.13 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.822 0.849 . . . . 0.0 111.053 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.34 -27.21 69.16 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.67 -1.269 . . . . 0.0 113.855 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 37.8 m -73.84 -33.84 64.29 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.552 0.741 . . . . 0.0 112.182 174.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.19 -39.49 63.14 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.61 -0.681 . . . . 0.0 112.367 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.83 -39.88 90.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.622 0.769 . . . . 0.0 112.347 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.52 -37.85 87.96 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.16 1.345 . . . . 0.0 112.323 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -67.88 -40.03 83.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.444 1.097 . . . . 0.0 111.385 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -64.65 -42.28 95.54 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.61 1.564 . . . . 0.0 112.271 173.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -66.69 -31.08 71.52 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.156 0.889 . . . . 0.0 113.047 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 36.9 mtt . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 172.744 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 110.693 -0.114 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -41.32 79.03 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.71 -34.75 79.06 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.22 -0.925 . . . . 0.0 112.696 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -70.68 -46.38 63.28 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.993 0.917 . . . . 0.0 111.462 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.2 tt -64.48 -42.09 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 118.603 -0.713 . . . . 0.0 111.57 175.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -55.75 -56.76 16.69 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.403 1.001 . . . . 0.0 111.672 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -69.62 -38.79 77.36 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.726 -0.609 . . . . 0.0 112.424 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 43.2 tp -70.76 -39.76 73.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.522 1.056 . . . . 0.0 112.816 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 28.7 tp -73.48 -34.92 65.57 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.509 0.724 . . . . 0.0 111.991 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.2 73.32 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 171.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -59.26 -43.84 92.43 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.838 1.255 . . . . 0.0 111.936 176.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 56.7 m -66.4 -43.11 86.71 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 172.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.08 -38.23 85.51 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.445 -0.784 . . . . 0.0 111.947 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 89.9 m -60.82 -44.7 96.57 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.03 -1.044 . . . . 0.0 111.667 173.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -68.01 -34.09 75.84 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.549 0.74 . . . . 0.0 112.68 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.1 -51.3 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.273 1.029 . . . . 0.0 110.72 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -60.7 -42.99 98.31 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.928 0.891 . . . . 0.0 112.405 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -55.78 -49.36 73.38 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.488 1.515 . . . . 0.0 111.684 174.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.15 -46.67 79.97 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.74 0.816 . . . . 0.0 112.546 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -63.28 -40.62 97.88 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.853 0.861 . . . . 0.0 112.083 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.16 84.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.96 0.904 . . . . 0.0 112.343 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.97 94.09 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.437 0.695 . . . . 0.0 112.351 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -63.16 -43.09 99.27 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.371 1.068 . . . . 0.0 111.421 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 N--CA 1.471 0.605 0 C-N-CA 123.903 0.881 . . . . 0.0 113.24 177.522 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo . . . . . 0 CA--C 1.539 0.774 0 CA-C-O 121.901 0.709 . . . . 0.0 113.289 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 tt -60.78 -31.0 48.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -63.42 -36.81 84.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.794 0.838 . . . . 0.0 112.587 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -72.23 -51.84 19.2 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.543 0.737 . . . . 0.0 111.64 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -64.98 -30.87 71.89 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.631 1.105 . . . . 0.0 112.553 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -65.51 -43.57 89.67 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.896 1.278 . . . . 0.0 112.227 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.04 74.66 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.229 -1.545 . . . . 0.0 112.8 173.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.79 -45.38 82.61 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.961 0.905 . . . . 0.0 111.684 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.27 -32.96 74.89 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.692 1.133 . . . . 0.0 112.289 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -66.09 -52.57 47.48 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.72 0.691 . . . . 0.0 112.592 173.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.24 -26.71 64.93 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -66.28 -27.33 67.85 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.173 -0.954 . . . . 0.0 112.926 169.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.4 mtt -91.8 2.58 56.41 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.11 1.364 . . . . 0.0 113.451 172.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.704 0 C-N-CA 124.846 1.213 . . . . 0.0 115.24 -179.081 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.9 mmt . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -69.1 -23.92 64.07 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.853 -1.154 . . . . 0.0 113.525 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -76.55 -49.01 17.47 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.203 1.001 . . . . 0.0 111.366 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -66.87 -38.9 82.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.854 1.262 . . . . 0.0 111.977 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.01 -47.2 83.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.18 0.9 . . . . 0.0 111.428 174.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -68.81 -41.7 78.29 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.218 -0.926 . . . . 0.0 113.011 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.38 -49.68 72.89 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.597 0.635 . . . . 0.0 111.662 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.5 tp -75.7 -34.68 60.4 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.641 0.777 . . . . 0.0 112.837 -170.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.16 72.69 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.74 -43.86 95.22 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.399 1.08 . . . . 0.0 111.424 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -65.53 -41.75 92.74 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.46 -41.03 93.29 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.801 0.841 . . . . 0.0 112.303 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.9 m -61.72 -40.77 96.22 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.138 0.975 . . . . 0.0 111.808 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -68.14 -34.65 76.74 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.946 -1.096 . . . . 0.0 113.23 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.0 mt -59.08 -48.46 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.453 -0.779 . . . . 0.0 110.074 170.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -62.57 -40.3 96.42 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.221 1.008 . . . . 0.0 112.552 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -59.08 -48.69 80.67 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.345 1.058 . . . . 0.0 112.084 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.83 -42.61 94.8 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.611 0.765 . . . . 0.0 111.98 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -61.6 -41.81 97.98 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.694 -0.67 . . . . 0.0 112.441 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.02 96.73 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.709 0.686 . . . . 0.0 112.146 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.15 93.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.145 0.578 . . . . 0.0 112.44 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 . . . . . 0 CA--C 1.548 0.869 0 C-N-CA 124.829 1.252 . . . . 0.0 111.161 178.267 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 CA--C 1.536 0.583 0 CA-C-O 122.049 0.77 . . . . 0.0 112.803 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.2 tt -57.32 -32.87 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.169 0.988 . . . . 0.0 113.452 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.5 -25.14 67.34 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.642 1.177 . . . . 0.0 112.769 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -80.71 -59.35 2.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.536 0.734 . . . . 0.0 111.408 170.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.53 -32.8 74.6 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.713 -1.242 . . . . 0.0 113.593 -171.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.0 t -69.85 -23.46 63.29 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.443 1.097 . . . . 0.0 112.896 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.19 -36.26 19.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.501 1.121 . . . . 0.0 112.802 169.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.09 -39.12 88.73 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.336 -0.853 . . . . 0.0 112.628 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.95 -35.37 79.9 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.365 0.984 . . . . 0.0 112.458 174.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -72.68 -40.79 65.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.061 0.945 . . . . 0.0 111.153 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.77 -39.46 94.32 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.383 1.473 . . . . 0.0 112.479 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.51 -33.57 76.21 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.612 0.765 . . . . 0.0 112.467 171.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 31.9 mtm . . . . . 0 CA--C 1.548 0.867 0 C-N-CA 124.804 1.242 . . . . 0.0 113.972 170.069 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 20.7 mmt -57.35 -35.56 70.08 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.429 1.092 . . . . 0.0 113.426 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.03 -23.12 65.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -88.32 -47.59 8.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.722 1.209 . . . . 0.0 111.372 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 tt -61.35 -39.54 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.665 1.186 . . . . 0.0 112.282 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -61.93 -42.14 98.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.938 0.79 . . . . 0.0 112.336 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -63.83 -43.44 96.19 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.503 0.721 . . . . 0.0 112.073 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.39 -50.37 67.89 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.541 0.737 . . . . 0.0 111.751 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.0 tp -73.83 -27.97 61.37 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.566 0.746 . . . . 0.0 112.975 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.21 74.15 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.563 -0.71 . . . . 0.0 112.729 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -65.55 -43.01 91.21 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.051 1.341 . . . . 0.0 111.826 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 75.3 p -68.0 -38.02 82.13 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.352 0.661 . . . . 0.0 112.579 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.11 -42.19 96.96 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.941 0.897 . . . . 0.0 111.965 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 77.0 m -59.36 -37.32 77.6 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.563 0.745 . . . . 0.0 111.754 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -70.1 -29.24 66.15 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.094 -1.004 . . . . 0.0 113.302 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.38 -48.23 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.447 1.021 . . . . 0.0 109.749 171.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.05 -41.65 97.01 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.085 0.954 . . . . 0.0 111.967 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.87 86.97 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.61 1.564 . . . . 0.0 112.354 172.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -45.93 91.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.451 0.7 . . . . 0.0 111.765 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -61.16 -43.68 98.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.468 0.707 . . . . 0.0 112.058 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.62 -43.91 97.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.549 0.74 . . . . 0.0 112.382 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.1 88.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.598 0.759 . . . . 0.0 112.668 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -62.81 -42.69 99.82 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 111.225 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 CA--C 1.541 0.62 0 O-C-N 120.687 -1.258 . . . . 0.0 112.031 173.74 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo . . . . . 0 CA--C 1.539 0.77 0 CA-C-O 122.004 0.752 . . . . 0.0 113.931 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 tp -60.29 -31.39 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.995 1.318 . . . . 0.0 113.965 -168.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -72.34 -29.74 64.09 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.322 -0.861 . . . . 0.0 113.054 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -72.12 -52.21 17.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.83 -1.169 . . . . 0.0 111.703 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.07 -31.53 72.46 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.417 -0.802 . . . . 0.0 112.503 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -62.6 -50.03 72.9 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.151 0.98 . . . . 0.0 111.819 169.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.07 72.27 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.724 -1.235 . . . . 0.0 112.545 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.33 -52.89 50.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.249 1.02 . . . . 0.0 111.782 173.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.88 -32.19 73.28 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.701 1.591 . . . . 0.0 112.772 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -64.17 -51.92 61.49 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.912 0.885 . . . . 0.0 111.351 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.93 -26.98 63.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.029 0.831 . . . . 0.0 113.143 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -68.5 -31.47 70.76 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.523 1.056 . . . . 0.0 112.486 170.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 73.4 mtm -78.72 -5.26 52.7 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 166.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.485 0 C-N-CA 124.87 1.224 . . . . 0.0 114.563 -174.526 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -82.36 -23.1 35.19 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.89 0.876 . . . . 0.0 113.134 172.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -74.08 -44.56 53.62 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.884 -1.135 . . . . 0.0 111.422 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 tt -60.64 -40.48 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.869 0.867 . . . . 0.0 112.073 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -55.97 -53.7 53.73 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.99 0.814 . . . . 0.0 111.52 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -64.76 -47.83 76.76 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.496 0.718 . . . . 0.0 112.179 -177.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 tp -68.24 -38.7 82.09 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.808 -0.557 . . . . 0.0 112.474 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.3 tp -73.45 -33.96 65.16 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.748 0.819 . . . . 0.0 112.3 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.6 88.39 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.39 -0.819 . . . . 0.0 112.893 172.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.05 -45.51 93.23 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.479 1.036 . . . . 0.0 111.854 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.1 t -58.0 -46.32 85.43 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 173.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.13 -42.1 98.91 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.145 -0.972 . . . . 0.0 112.916 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -61.8 -37.48 84.54 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.078 -1.014 . . . . 0.0 111.73 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.67 -35.13 79.42 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.229 -0.919 . . . . 0.0 113.158 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.6 mt -58.52 -50.83 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.781 0.833 . . . . 0.0 109.632 172.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -64.24 -38.47 91.16 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.386 1.074 . . . . 0.0 112.636 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -59.79 -44.46 93.94 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.428 1.091 . . . . 0.0 112.14 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.69 -50.04 64.16 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.067 0.947 . . . . 0.0 111.751 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.19 -38.07 89.72 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.47 96.79 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.379 0.672 . . . . 0.0 111.903 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.96 67.79 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.612 0.765 . . . . 0.0 112.18 175.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 125.028 1.331 . . . . 0.0 111.674 -178.909 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo . . . . . 0 CA--C 1.54 0.812 0 CA-C-O 121.747 0.644 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.4 tt -60.74 -30.79 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -62.71 -35.72 80.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.328 0.651 . . . . 0.0 112.057 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -74.72 -51.26 14.72 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.687 0.795 . . . . 0.0 111.939 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.27 -33.04 74.48 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.225 -0.922 . . . . 0.0 112.794 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.0 t -61.68 -46.6 89.04 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.669 0.788 . . . . 0.0 111.866 167.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.67 81.28 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.767 -1.208 . . . . 0.0 112.951 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.2 -50.39 66.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.007 0.923 . . . . 0.0 111.558 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.9 -30.46 70.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.195 1.362 . . . . 0.0 112.547 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -67.8 -45.87 73.55 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.23 1.012 . . . . 0.0 112.068 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -66.8 -33.17 75.03 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.751 0.82 . . . . 0.0 112.847 175.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -61.63 -40.57 95.34 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.201 0.91 . . . . 0.0 112.452 170.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 124.632 1.173 . . . . 0.0 114.16 176.916 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 120.805 0.336 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -38.74 71.13 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.291 1.036 . . . . 0.0 112.623 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.07 -24.81 66.79 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -74.32 -52.73 11.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.543 0.737 . . . . 0.0 110.442 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.7 tt -63.83 -40.24 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.99 0.916 . . . . 0.0 112.085 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -56.83 -48.49 77.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.571 1.078 . . . . 0.0 111.626 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -67.36 -48.46 67.41 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.981 0.513 . . . . 0.0 111.743 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.47 -42.33 95.98 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.961 0.904 . . . . 0.0 112.742 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 29.0 tp -74.49 -31.75 62.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.622 1.169 . . . . 0.0 112.596 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.07 -32.46 69.13 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.468 -0.77 . . . . 0.0 112.823 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.94 -48.34 74.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.286 1.034 . . . . 0.0 112.342 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 69.1 p -64.12 -36.44 84.05 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.675 0.79 . . . . 0.0 112.739 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.3 -40.27 95.76 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.033 -1.042 . . . . 0.0 112.628 171.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 95.1 m -60.36 -37.56 81.09 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.281 -0.887 . . . . 0.0 111.961 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -68.44 -34.99 76.96 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.278 -0.889 . . . . 0.0 113.085 175.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.12 -52.17 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.558 1.072 . . . . 0.0 109.482 170.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -59.28 -39.52 83.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.321 0.648 . . . . 0.0 112.278 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -59.81 -52.76 64.06 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.217 1.007 . . . . 0.0 112.098 174.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.22 -35.12 66.26 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.478 0.711 . . . . 0.0 112.903 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -63.57 -44.0 95.36 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.924 0.784 . . . . 0.0 111.471 173.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.79 90.21 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.8 82.3 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.423 0.689 . . . . 0.0 112.389 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.1 -36.23 82.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.238 0.615 . . . . 0.0 111.96 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 . . . . . 0 CA--C 1.542 0.666 0 O-C-N 121.08 -1.012 . . . . 0.0 112.585 173.901 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 CA--C 1.535 0.555 0 CA-C-O 121.851 0.688 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.5 tt -61.26 -30.17 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -169.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -63.61 -28.62 70.05 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -76.13 -56.59 4.51 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.543 -0.723 . . . . 0.0 111.807 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.13 -34.19 75.89 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.401 -0.812 . . . . 0.0 112.926 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 m -71.83 -25.08 61.83 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.839 0.856 . . . . 0.0 113.242 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.13 -29.11 23.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.262 1.025 . . . . 0.0 112.8 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mp -61.48 -43.63 98.52 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.115 0.966 . . . . 0.0 112.188 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.06 -37.03 85.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.074 0.852 . . . . 0.0 112.788 176.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -72.86 -39.41 66.51 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.851 0.861 . . . . 0.0 112.666 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -76.85 -23.8 52.68 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.937 0.79 . . . . 0.0 112.981 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -68.94 -29.2 67.4 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 121.013 -1.055 . . . . 0.0 112.784 167.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.7 mtm -82.59 -10.52 58.93 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.025 1.33 . . . . 0.0 114.207 167.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.375 0 C-N-CA 124.933 1.254 . . . . 0.0 114.873 -178.777 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 9.0 tpt . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -81.02 -43.62 19.31 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.917 0.887 . . . . 0.0 112.065 170.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -65.9 -38.55 89.02 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.849 0.86 . . . . 0.0 112.939 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 tt -59.92 -40.02 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.844 0.858 . . . . 0.0 112.138 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -64.84 -43.24 93.7 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.557 0.617 . . . . 0.0 111.458 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -64.99 -49.87 68.58 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.392 0.677 . . . . 0.0 112.097 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.67 -44.16 91.26 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.765 0.826 . . . . 0.0 111.939 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 tp -72.45 -34.4 67.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.21 83.02 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.499 0.719 . . . . 0.0 112.222 170.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -57.05 -45.27 83.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.537 1.135 . . . . 0.0 112.065 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 t -61.93 -42.48 99.15 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.536 0.734 . . . . 0.0 112.634 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.22 -42.51 98.72 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.399 -0.813 . . . . 0.0 112.959 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 95.4 m -58.17 -39.58 79.23 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 118.899 0.772 . . . . 0.0 113.033 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -68.62 -32.2 71.9 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.31 -48.56 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.921 0.889 . . . . 0.0 110.319 174.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -65.7 -37.67 87.1 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.6 1.16 . . . . 0.0 112.594 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.4 ttp85 -59.89 -46.99 87.59 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.195 0.998 . . . . 0.0 111.982 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.67 -43.99 87.62 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.39 0.676 . . . . 0.0 112.263 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -64.97 -37.71 88.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.642 0.655 . . . . 0.0 112.464 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.48 95.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.347 0.659 . . . . 0.0 111.596 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.78 94.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.61 0.764 . . . . 0.0 112.993 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 124.196 0.998 . . . . 0.0 111.384 176.118 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo . . . . . 0 CA--C 1.533 0.465 0 CA-C-O 121.665 0.61 . . . . 0.0 113.584 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.3 tt -63.02 -32.2 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -172.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -70.54 -23.45 62.63 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.262 -0.899 . . . . 0.0 112.64 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -76.91 -50.35 13.5 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.273 -0.892 . . . . 0.0 111.732 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.89 -30.3 70.87 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.431 -0.793 . . . . 0.0 112.216 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.3 t -63.31 -42.86 99.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.979 1.311 . . . . 0.0 112.429 167.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.29 -33.51 76.15 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.321 -1.487 . . . . 0.0 113.413 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.96 -45.19 82.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.728 1.211 . . . . 0.0 112.157 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.08 -34.29 71.03 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.1 1.318 . . . . 0.0 112.439 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -64.9 -47.02 79.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.32 0.648 . . . . 0.0 112.634 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.42 -27.32 65.17 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -64.18 -36.92 85.62 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.958 0.799 . . . . 0.0 112.419 170.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 33.9 mtt . . . . . 0 N--CA 1.474 0.764 0 C-N-CA 124.803 1.241 . . . . 0.0 113.242 174.43 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.161 0.029 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.44 -35.2 69.79 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.989 -1.069 . . . . 0.0 112.873 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -67.22 -24.23 65.81 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -77.1 -49.87 14.32 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.117 -0.99 . . . . 0.0 111.409 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 13.2 tt -64.63 -40.58 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.717 0.807 . . . . 0.0 112.021 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.29 -39.54 87.25 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.403 1.001 . . . . 0.0 111.798 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -74.24 -49.5 23.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.832 0.742 . . . . 0.0 112.349 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.99 -40.39 87.35 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.08 0.952 . . . . 0.0 113.124 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.53 -28.12 60.83 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.642 0.777 . . . . 0.0 112.59 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.27 -31.74 64.26 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 121.209 -0.932 . . . . 0.0 113.057 169.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -62.8 -49.62 74.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.079 1.352 . . . . 0.0 111.564 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 77.0 p -65.67 -37.39 86.38 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.678 0.791 . . . . 0.0 112.873 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.55 -39.68 95.03 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.135 0.88 . . . . 0.0 112.615 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 99.9 m -64.19 -39.96 95.1 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.636 -1.29 . . . . 0.0 111.632 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -66.6 -28.93 68.89 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.519 1.128 . . . . 0.0 112.495 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.62 -60.32 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 120.26 1.391 . . . . 0.0 109.559 164.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -57.15 -42.41 80.97 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.641 0.776 . . . . 0.0 112.671 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -68.32 -32.69 72.98 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.78 -39.72 56.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.086 0.955 . . . . 0.0 112.174 174.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -59.48 -43.5 93.26 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.587 0.63 . . . . 0.0 111.256 171.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.63 90.5 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.17 0.988 . . . . 0.0 112.696 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.71 98.45 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.364 0.983 . . . . 0.0 112.921 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.69 -40.44 97.12 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.28 1.032 . . . . 0.0 111.467 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 CA--C 1.55 0.943 0 O-C-N 121.16 -0.963 . . . . 0.0 113.351 176.381 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo . . . . . 0 CA--C 1.539 0.74 0 CA-C-O 122.2 0.833 . . . . 0.0 113.198 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 tt -65.31 -31.54 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -71.64 -26.4 62.54 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.418 -0.801 . . . . 0.0 112.528 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -71.99 -52.01 19.11 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.778 -1.202 . . . . 0.0 111.071 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.05 -33.02 74.86 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.016 0.826 . . . . 0.0 112.589 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -66.99 -42.43 85.06 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.74 0.816 . . . . 0.0 112.4 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.67 81.89 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.513 -1.367 . . . . 0.0 113.001 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.01 -51.71 60.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.886 0.875 . . . . 0.0 111.709 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.01 -34.05 76.72 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.324 1.42 . . . . 0.0 112.465 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -72.53 -39.62 67.39 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.565 -0.709 . . . . 0.0 112.202 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -69.1 -34.51 75.2 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.633 0.773 . . . . 0.0 112.801 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -63.05 -33.65 75.89 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.024 -1.047 . . . . 0.0 112.304 170.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.7 mtm -81.46 -0.02 39.81 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.101 1.361 . . . . 0.0 114.457 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.402 0 N-CA-C 115.83 1.092 . . . . 0.0 115.83 176.064 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -74.43 -33.56 62.99 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.116 -0.99 . . . . 0.0 112.382 173.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -73.73 -45.44 52.01 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.588 0.755 . . . . 0.0 112.354 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -62.33 -42.0 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.64 -0.662 . . . . 0.0 112.242 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -60.91 -44.89 96.54 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.784 0.72 . . . . 0.0 110.877 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -67.88 -51.2 50.85 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.06 -45.02 90.63 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.19 -0.944 . . . . 0.0 112.148 -176.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -73.49 -25.64 60.54 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.43 50.07 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 168.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -66.49 -45.68 78.8 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.761 -1.212 . . . . 0.0 111.776 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 p -64.56 -36.01 82.83 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.76 -41.79 98.15 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.352 0.978 . . . . 0.0 111.905 171.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.1 m -62.29 -37.3 85.01 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.346 -0.846 . . . . 0.0 111.956 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -66.64 -35.52 80.37 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.093 -1.004 . . . . 0.0 113.358 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.7 mt -60.18 -48.12 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.958 0.799 . . . . 0.0 109.988 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -60.81 -41.33 95.48 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.928 0.891 . . . . 0.0 112.209 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -63.51 -47.29 82.31 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.426 1.09 . . . . 0.0 112.311 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.18 -37.31 80.83 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.455 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.62 -46.12 91.47 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.324 0.965 . . . . 0.0 112.28 170.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.21 96.96 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.277 0.631 . . . . 0.0 112.674 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.07 94.09 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.8 0.84 . . . . 0.0 112.611 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 . . . . . 0 CA--C 1.549 0.938 0 C-N-CA 123.543 0.737 . . . . 0.0 111.142 175.482 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 CA--C 1.538 0.677 0 CA-C-O 122.239 0.85 . . . . 0.0 113.231 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 15.2 tt -67.36 -27.91 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -167.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -69.6 -27.88 65.47 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.123 -0.986 . . . . 0.0 112.549 172.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -73.08 -49.62 27.51 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.099 0.96 . . . . 0.0 112.106 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.81 -31.99 72.98 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.082 -1.011 . . . . 0.0 112.766 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.1 t -64.68 -38.59 91.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.119 0.968 . . . . 0.0 112.631 169.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.99 83.64 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.706 -1.246 . . . . 0.0 112.482 171.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.13 -45.94 91.33 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.162 0.985 . . . . 0.0 112.872 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.12 -35.45 80.53 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.764 1.166 . . . . 0.0 111.997 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -68.43 -40.08 81.3 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.466 1.106 . . . . 0.0 111.273 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -67.79 -33.58 75.1 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.186 1.394 . . . . 0.0 112.958 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -64.06 -26.66 68.65 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.82 -1.175 . . . . 0.0 112.788 169.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 59.9 mtm . . . . . 0 CA--C 1.548 0.879 0 C-N-CA 125.928 1.691 . . . . 0.0 113.657 170.592 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 121.01 0.434 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 10.0 tpt -64.81 -19.47 65.86 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.072 0.949 . . . . 0.0 113.549 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -78.52 -34.92 46.97 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.542 1.137 . . . . 0.0 112.698 168.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -70.44 -38.48 74.54 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.281 -0.887 . . . . 0.0 112.538 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 16.7 tt -60.11 -41.42 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 123.984 0.914 . . . . 0.0 111.827 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -61.31 -46.11 91.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.912 0.778 . . . . 0.0 111.15 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -65.06 -52.32 56.44 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.52 0.728 . . . . 0.0 112.67 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.73 -45.66 85.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.809 0.844 . . . . 0.0 112.06 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.4 tp -70.61 -32.92 70.44 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.113 0.565 . . . . 0.0 112.213 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.39 75.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.747 0.819 . . . . 0.0 113.05 169.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -65.49 -44.06 88.24 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.179 0.9 . . . . 0.0 111.687 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 66.0 m -62.22 -42.41 99.28 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 172.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.17 -42.69 95.52 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.763 0.825 . . . . 0.0 112.138 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 97.5 m -60.83 -40.77 94.03 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.417 -0.802 . . . . 0.0 111.85 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -69.49 -35.91 76.01 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.472 -0.768 . . . . 0.0 113.04 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.55 -51.68 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.295 0.952 . . . . 0.0 110.078 170.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -60.94 -40.38 93.04 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.85 0.86 . . . . 0.0 112.436 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 45.9 ttm180 -60.31 -47.72 84.83 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.564 1.146 . . . . 0.0 112.328 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.9 -39.66 79.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -61.1 -43.59 98.65 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.823 0.738 . . . . 0.0 111.999 173.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.94 99.18 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.722 0.809 . . . . 0.0 112.402 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.26 89.09 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.077 0.551 . . . . 0.0 112.462 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -62.07 -46.1 90.61 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.676 1.19 . . . . 0.0 111.067 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 . . . . . 0 CA--C 1.54 0.575 0 O-C-N 120.897 -1.127 . . . . 0.0 112.615 178.104 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 CA--C 1.545 1.03 0 CA-C-O 122.068 0.778 . . . . 0.0 113.959 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.1 -34.46 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.858 1.263 . . . . 0.0 113.597 -167.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -69.35 -30.3 68.29 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.471 0.708 . . . . 0.0 112.738 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -70.2 -56.2 7.4 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.159 0.89 . . . . 0.0 111.721 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.55 -32.66 74.37 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.725 -1.234 . . . . 0.0 113.033 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -67.89 -41.29 82.96 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.396 0.678 . . . . 0.0 112.542 171.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.0 86.17 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.35 -1.469 . . . . 0.0 112.428 173.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -63.32 -51.73 64.81 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.103 0.961 . . . . 0.0 111.593 175.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.26 -36.84 85.41 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.884 1.22 . . . . 0.0 112.255 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -67.56 -46.26 73.22 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 118.519 -0.753 . . . . 0.0 111.74 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.56 -25.39 60.36 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.539 1.063 . . . . 0.0 113.323 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -65.48 -20.35 66.32 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 121.197 -0.939 . . . . 0.0 113.346 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 mtm -100.52 8.52 43.45 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.185 1.794 . . . . 0.0 113.544 168.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.44 0 C-N-CA 125.594 1.569 . . . . 0.0 115.626 179.256 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.3 mmt . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -65.34 -35.09 79.92 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.974 -1.079 . . . . 0.0 112.645 172.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -72.9 -41.85 64.2 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.696 1.198 . . . . 0.0 112.277 -176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.12 -41.27 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.741 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -58.49 -53.32 59.67 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.819 1.191 . . . . 0.0 112.519 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.96 -35.79 82.3 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.76 -40.07 63.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.314 1.046 . . . . 0.0 112.29 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.6 tp -74.82 -26.98 60.09 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.268 1.027 . . . . 0.0 113.009 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.14 -33.25 73.15 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.343 -0.848 . . . . 0.0 112.817 167.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -61.92 -51.07 69.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.887 1.275 . . . . 0.0 111.919 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.6 p -66.11 -37.05 84.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.03 0.932 . . . . 0.0 113.054 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.57 -40.51 87.56 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.289 -0.882 . . . . 0.0 111.726 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.8 m -62.07 -39.34 92.11 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.434 -0.791 . . . . 0.0 111.842 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -68.15 -36.14 79.2 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.774 -1.204 . . . . 0.0 113.199 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.91 -45.59 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.319 0.648 . . . . 0.0 110.516 171.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -65.17 -40.78 94.75 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.867 0.867 . . . . 0.0 112.919 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -57.56 -47.69 81.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.823 0.849 . . . . 0.0 112.043 172.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.76 -46.96 87.35 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.682 0.793 . . . . 0.0 112.183 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -67.52 -34.56 77.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.455 0.702 . . . . 0.0 112.638 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.1 92.05 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.073 0.851 . . . . 0.0 112.042 171.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.79 91.32 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.009 0.924 . . . . 0.0 112.702 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 124.663 1.185 . . . . 0.0 111.222 177.06 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo . . . . . 0 CA--C 1.538 0.721 0 CA-C-O 121.49 0.538 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 14.8 tt -57.15 -32.64 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -169.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.53 -34.65 71.22 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.207 1.003 . . . . 0.0 112.859 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -77.93 -47.75 17.91 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.702 0.801 . . . . 0.0 112.324 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.59 -30.28 68.99 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.653 1.115 . . . . 0.0 112.356 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.5 t -64.77 -46.58 81.53 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.958 0.903 . . . . 0.0 111.698 168.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.42 87.09 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.099 -1.001 . . . . 0.0 111.804 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.1 -48.39 73.86 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.16 0.984 . . . . 0.0 112.283 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.1 -33.96 76.97 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.146 1.339 . . . . 0.0 112.261 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -73.49 -35.81 65.7 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.655 -0.653 . . . . 0.0 112.577 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -64.66 -38.65 91.72 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.194 1.398 . . . . 0.0 112.183 172.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.96 -35.54 77.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.729 0.812 . . . . 0.0 112.596 171.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 44.2 mtt . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 124.823 1.249 . . . . 0.0 113.91 174.145 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -37.2 75.87 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.498 0.719 . . . . 0.0 112.83 -176.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -66.54 -27.86 68.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.335 1.054 . . . . 0.0 112.932 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -74.5 -49.59 21.53 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.193 -0.942 . . . . 0.0 110.837 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 13.5 tt -67.01 -40.07 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.682 0.793 . . . . 0.0 112.05 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -57.3 -49.81 74.93 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.291 0.95 . . . . 0.0 112.069 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.45 -46.29 80.44 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 38.3 tp -71.62 -38.71 70.76 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.693 -0.629 . . . . 0.0 112.353 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 22.3 tp -73.28 -31.5 64.1 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.608 0.763 . . . . 0.0 112.27 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.07 79.3 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.157 -0.965 . . . . 0.0 112.677 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -61.77 -47.2 86.24 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.395 0.998 . . . . 0.0 111.811 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 94.3 p -64.88 -40.49 95.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.93 -40.9 97.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.121 -0.987 . . . . 0.0 112.005 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 99.2 m -60.93 -39.19 88.51 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.331 -0.855 . . . . 0.0 111.444 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.89 -33.24 74.34 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.154 -0.966 . . . . 0.0 112.965 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.38 -49.92 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 121.0 -1.063 . . . . 0.0 110.55 170.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.21 -46.61 75.92 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.4 1.08 . . . . 0.0 111.355 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.63 -47.26 87.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.491 1.516 . . . . 0.0 111.749 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.75 -41.03 72.33 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.511 0.725 . . . . 0.0 112.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -61.9 -41.0 97.38 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.099 0.863 . . . . 0.0 111.896 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.41 83.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.58 0.752 . . . . 0.0 112.404 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.69 88.99 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.816 0.846 . . . . 0.0 112.431 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.05 -40.95 91.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.672 1.189 . . . . 0.0 111.466 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 123.171 0.588 . . . . 0.0 112.246 174.034 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo . . . . . 0 CA--C 1.539 0.728 0 CA-C-O 121.332 0.472 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.29 -33.53 37.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.0 -31.78 72.19 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.343 1.057 . . . . 0.0 112.901 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -76.27 -53.7 7.84 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.878 0.871 . . . . 0.0 111.949 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.3 -28.83 69.0 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.149 -0.969 . . . . 0.0 113.139 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -69.33 -29.91 67.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.987 0.915 . . . . 0.0 112.553 172.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.71 -36.76 57.0 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.935 -1.103 . . . . 0.0 112.123 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.29 -48.09 79.57 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.448 1.099 . . . . 0.0 111.75 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.4 -38.34 89.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.382 0.992 . . . . 0.0 111.927 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -73.38 -40.66 64.16 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -69.85 -29.28 66.48 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.867 0.758 . . . . 0.0 112.608 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -67.19 -26.49 66.65 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.902 -1.123 . . . . 0.0 113.231 172.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.2 mtt -88.95 -5.02 58.27 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.159 1.384 . . . . 0.0 113.62 173.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 C-N-CA 124.428 1.013 . . . . 0.0 114.406 -175.854 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.1 tpt . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -77.22 -27.53 53.44 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 168.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -80.77 -39.24 27.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.046 0.938 . . . . 0.0 111.836 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 tt -60.16 -38.88 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.446 1.098 . . . . 0.0 112.133 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -58.63 -50.45 73.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.22 0.918 . . . . 0.0 111.693 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -65.44 -45.4 83.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.396 0.678 . . . . 0.0 112.13 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 tp -73.86 -31.92 63.39 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -76.28 -34.98 59.11 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.167 -0.958 . . . . 0.0 111.781 172.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.66 -32.02 73.06 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 171.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -57.66 -47.6 81.82 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.24 1.816 . . . . 0.0 111.228 173.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -66.77 -43.24 84.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 171.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.88 -37.53 82.48 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.191 0.905 . . . . 0.0 112.375 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -60.97 -40.43 93.35 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.258 -0.901 . . . . 0.0 111.763 174.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -71.96 -34.43 68.98 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.409 -0.807 . . . . 0.0 112.865 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.14 -50.31 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.582 0.753 . . . . 0.0 110.13 170.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -61.62 -41.95 98.2 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.813 0.845 . . . . 0.0 112.44 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -56.97 -50.04 73.88 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.507 1.123 . . . . 0.0 111.645 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.79 -47.84 79.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.637 0.775 . . . . 0.0 112.309 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -63.01 -42.2 99.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.828 0.851 . . . . 0.0 112.433 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.49 93.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.52 0.728 . . . . 0.0 112.332 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.78 82.98 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 123.732 0.813 . . . . 0.0 111.541 179.789 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 CA--C 1.536 0.593 0 CA-C-O 121.752 0.647 . . . . 0.0 112.069 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 tt -59.95 -30.04 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -59.99 -30.08 68.89 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.581 0.752 . . . . 0.0 112.768 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -78.9 -50.99 10.3 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.417 -0.802 . . . . 0.0 112.558 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.7 -33.35 75.67 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.946 1.248 . . . . 0.0 112.644 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t -62.92 -37.45 87.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.529 1.132 . . . . 0.0 112.812 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.3 -38.67 65.79 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.202 -0.937 . . . . 0.0 112.036 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.17 -45.2 92.92 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.297 1.039 . . . . 0.0 112.548 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.11 -37.01 85.5 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.977 1.262 . . . . 0.0 112.002 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -70.45 -37.34 74.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.004 0.922 . . . . 0.0 113.049 174.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -65.66 -39.06 90.95 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.733 1.213 . . . . 0.0 112.445 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.8 -37.32 86.95 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.615 -0.678 . . . . 0.0 112.423 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 40.8 mtt . . . . . 0 N--CA 1.477 0.882 0 C-N-CA 124.161 0.984 . . . . 0.0 113.56 172.336 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.653 0.263 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -33.22 70.31 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -69.25 -40.23 77.99 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.932 -1.105 . . . . 0.0 112.501 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.65 -42.15 91.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.136 0.974 . . . . 0.0 111.464 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.69 -40.52 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 123.797 0.839 . . . . 0.0 112.12 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.15 -40.62 90.5 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.017 0.826 . . . . 0.0 111.868 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.54 -51.13 69.84 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.872 0.76 . . . . 0.0 112.282 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.65 -42.85 90.92 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.417 0.687 . . . . 0.0 111.778 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.5 tp -73.38 -34.53 65.6 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.57 95.73 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.853 0.861 . . . . 0.0 112.054 169.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -58.94 -46.83 87.04 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.731 1.212 . . . . 0.0 111.723 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 7.8 t -64.31 -44.29 92.05 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.432 0.693 . . . . 0.0 112.745 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.58 -41.92 98.11 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.909 -1.119 . . . . 0.0 112.606 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 67.1 m -58.64 -40.04 82.27 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.501 -0.749 . . . . 0.0 112.178 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -68.89 -31.24 70.03 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.167 -0.958 . . . . 0.0 113.474 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.28 -49.99 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.151 -0.968 . . . . 0.0 109.768 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -62.99 -40.08 96.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.087 0.955 . . . . 0.0 112.073 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -61.75 -46.66 88.63 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.774 1.23 . . . . 0.0 111.607 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.78 -43.88 82.8 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.649 0.78 . . . . 0.0 112.155 176.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -59.03 -44.58 91.76 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.953 0.797 . . . . 0.0 112.552 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.34 -45.54 93.98 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.616 0.766 . . . . 0.0 112.354 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.32 88.14 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.273 0.629 . . . . 0.0 112.666 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -65.46 -43.83 89.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.599 0.76 . . . . 0.0 111.352 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 CA--C 1.541 0.603 0 O-C-N 121.066 -1.021 . . . . 0.0 112.371 176.421 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 CA--C 1.533 0.456 0 CA-C-O 121.284 0.452 . . . . 0.0 113.135 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.7 tt -64.55 -26.18 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -168.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.24 -26.3 66.32 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.879 1.271 . . . . 0.0 113.245 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -83.07 -56.24 3.91 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.148 0.979 . . . . 0.0 112.11 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.69 -33.99 74.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.944 1.247 . . . . 0.0 112.578 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.5 m -73.53 -20.85 60.54 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.16 0.984 . . . . 0.0 113.419 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.56 -37.08 32.08 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.202 0.91 . . . . 0.0 111.658 166.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.68 -41.49 99.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.034 0.834 . . . . 0.0 112.153 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.92 -36.54 84.3 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.798 1.181 . . . . 0.0 112.719 174.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -64.66 -48.67 73.91 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.877 0.871 . . . . 0.0 111.036 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -60.18 -42.38 94.87 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.369 1.468 . . . . 0.0 113.17 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.57 -32.65 74.35 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.142 -0.973 . . . . 0.0 112.654 174.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.0 mtm -85.79 4.43 36.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.194 1.398 . . . . 0.0 113.85 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.712 0 N-CA-C 115.762 1.065 . . . . 0.0 115.762 176.221 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mmt . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -71.0 -32.54 69.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.784 0.834 . . . . 0.0 113.044 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -76.05 -43.31 44.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.15 0.98 . . . . 0.0 111.429 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -69.6 -40.15 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.276 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.31 -43.11 88.0 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.4 1.0 . . . . 0.0 111.959 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -65.76 -53.49 39.8 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.838 0.745 . . . . 0.0 112.126 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.12 -46.27 88.1 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.502 0.592 . . . . 0.0 111.927 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -74.68 -23.41 58.62 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.922 0.889 . . . . 0.0 113.11 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.03 -39.44 41.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.833 0.742 . . . . 0.0 112.924 167.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -59.74 -46.97 87.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.421 1.088 . . . . 0.0 111.362 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.4 p -63.37 -45.14 92.5 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.99 -39.55 82.16 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.112 0.965 . . . . 0.0 112.668 176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.0 m -61.13 -38.72 87.4 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.665 0.786 . . . . 0.0 111.922 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.96 -34.38 75.23 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.22 -48.38 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.822 0.737 . . . . 0.0 109.914 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.79 -37.89 89.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.257 1.023 . . . . 0.0 113.062 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -60.76 -43.05 98.49 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.667 1.187 . . . . 0.0 112.959 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.6 -43.45 76.44 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.791 0.723 . . . . 0.0 111.912 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.08 -32.29 73.36 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.05 86.14 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.128 0.877 . . . . 0.0 112.685 175.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.72 -43.56 58.84 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.859 0.863 . . . . 0.0 112.449 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 . . . . . 0 CA--C 1.546 0.825 0 C-N-CA 123.723 0.809 . . . . 0.0 112.315 -177.67 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo . . . . . 0 CA--C 1.538 0.712 0 CA-C-O 121.342 0.476 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 17.6 tt -61.1 -28.18 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.028 0.931 . . . . 0.0 113.492 -173.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.68 -36.47 74.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.541 1.136 . . . . 0.0 112.599 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -77.09 -49.54 15.06 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.707 0.803 . . . . 0.0 112.258 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.85 -35.07 79.43 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.594 1.088 . . . . 0.0 112.192 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t -70.97 -38.67 72.77 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.29 83.08 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.566 -1.334 . . . . 0.0 112.331 171.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.85 -50.35 69.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.674 0.79 . . . . 0.0 111.461 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.23 -32.7 74.29 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 120.122 1.328 . . . . 0.0 112.871 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -65.49 -46.69 78.75 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.367 -0.833 . . . . 0.0 111.397 173.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -66.41 -32.37 73.71 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.821 0.848 . . . . 0.0 112.887 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -61.49 -42.75 99.27 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.14 0.976 . . . . 0.0 112.65 172.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 64.2 mtm . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 177.704 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.617 0.246 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -37.37 71.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.728 0.811 . . . . 0.0 112.4 -178.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -67.19 -26.43 66.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.832 0.853 . . . . 0.0 113.203 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -73.85 -51.49 16.09 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.358 -0.838 . . . . 0.0 110.473 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 11.6 tt -62.81 -38.64 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.042 0.937 . . . . 0.0 112.105 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -56.82 -53.38 58.55 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.665 1.12 . . . . 0.0 111.963 175.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.79 -46.49 81.86 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.501 0.72 . . . . 0.0 111.977 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 54.7 tp -67.5 -42.87 82.15 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.754 0.822 . . . . 0.0 112.834 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.6 tp -72.21 -34.51 68.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.503 0.721 . . . . 0.0 112.1 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.46 78.48 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.454 -0.779 . . . . 0.0 113.01 170.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -62.49 -44.92 95.21 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.704 1.202 . . . . 0.0 111.612 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 54.4 p -65.85 -38.88 90.04 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.629 -0.67 . . . . 0.0 112.775 172.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.54 -45.07 88.72 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.162 0.985 . . . . 0.0 112.71 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.6 t -64.86 -29.7 70.66 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.843 -1.161 . . . . 0.0 112.825 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.37 -36.03 80.54 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.041 -1.037 . . . . 0.0 112.821 173.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 90.2 mt -58.76 -47.8 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 121.218 -0.926 . . . . 0.0 109.78 170.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -61.08 -42.25 98.17 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.567 0.747 . . . . 0.0 112.584 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -58.19 -50.16 74.5 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.179 0.9 . . . . 0.0 111.763 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.19 -37.05 66.62 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -61.19 -46.8 88.97 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.717 0.69 . . . . 0.0 111.358 171.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.93 93.83 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.414 0.686 . . . . 0.0 112.492 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.25 83.18 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.401 -0.812 . . . . 0.0 112.583 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -63.3 -42.53 99.05 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.805 0.842 . . . . 0.0 111.116 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 . . . . . 0 CA--C 1.541 0.626 0 O-C-N 121.2 -0.938 . . . . 0.0 112.412 174.008 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 CA--C 1.538 0.704 0 N-CA-C 113.324 0.471 . . . . 0.0 113.324 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.6 tt -58.3 -37.17 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.42 -29.18 70.51 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.562 0.745 . . . . 0.0 112.671 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -75.31 -54.22 7.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.711 0.805 . . . . 0.0 111.219 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.14 -32.47 74.05 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.031 0.832 . . . . 0.0 112.522 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -65.1 -32.12 73.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.004 1.322 . . . . 0.0 113.232 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.32 -39.03 33.81 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.011 -1.056 . . . . 0.0 112.605 171.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.5 -39.54 88.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.179 0.992 . . . . 0.0 112.132 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.82 -39.36 91.53 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.972 1.26 . . . . 0.0 111.944 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -68.86 -43.21 75.87 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.162 0.985 . . . . 0.0 111.398 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -68.58 -30.63 69.42 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.938 0.895 . . . . 0.0 113.271 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -62.13 -39.58 93.06 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.86 -1.15 . . . . 0.0 111.859 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 mtm -79.9 7.63 8.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.631 1.573 . . . . 0.0 114.17 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.511 0 N-CA-C 116.046 1.178 . . . . 0.0 116.046 172.683 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.9 -30.18 70.27 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.328 -0.857 . . . . 0.0 112.819 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -71.88 -45.92 59.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.52 0.728 . . . . 0.0 110.986 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -67.21 -37.57 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.602 0.761 . . . . 0.0 111.839 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -56.11 -48.96 75.16 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.188 0.904 . . . . 0.0 111.56 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -65.2 -47.08 78.16 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.985 0.914 . . . . 0.0 112.834 -177.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.74 -47.5 80.8 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.589 0.631 . . . . 0.0 111.816 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.42 -36.73 71.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.72 -38.15 80.02 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.55 -0.719 . . . . 0.0 112.597 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.99 -42.5 99.21 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.969 0.908 . . . . 0.0 111.007 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 m -62.5 -44.87 95.32 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.76 -38.67 82.45 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.367 1.067 . . . . 0.0 112.018 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.6 m -59.95 -39.89 87.13 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.392 -0.818 . . . . 0.0 112.072 176.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.89 -36.14 77.71 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.104 -0.997 . . . . 0.0 113.149 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.2 -50.76 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 O-C-N 121.33 -0.856 . . . . 0.0 109.99 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.15 -42.63 95.28 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.996 0.919 . . . . 0.0 112.384 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -57.16 -50.24 73.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.821 1.249 . . . . 0.0 112.38 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.62 -38.04 67.89 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.28 0.632 . . . . 0.0 112.691 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.99 -41.35 99.55 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.102 0.864 . . . . 0.0 112.205 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.16 97.45 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.16 95.47 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.544 0.738 . . . . 0.0 112.594 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 . . . . . 0 CA--C 1.543 0.684 0 C-N-CA 124.098 0.959 . . . . 0.0 111.059 175.413 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo . . . . . 0 CA--C 1.536 0.614 0 CA-C-O 121.677 0.616 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.5 tt -58.81 -31.92 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -64.12 -34.6 78.43 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.212 -0.93 . . . . 0.0 112.431 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -73.97 -53.26 10.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.875 0.761 . . . . 0.0 111.73 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.77 -31.06 71.46 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.162 -0.961 . . . . 0.0 113.154 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 39.7 t -69.07 -42.8 75.73 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.338 0.655 . . . . 0.0 111.089 171.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.94 89.62 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.578 -1.326 . . . . 0.0 111.6 172.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.87 -46.07 86.57 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.846 0.748 . . . . 0.0 112.605 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.01 -34.17 77.14 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.49 1.495 . . . . 0.0 112.376 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -66.1 -37.41 85.71 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.181 0.992 . . . . 0.0 111.602 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -69.05 -31.78 70.8 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.532 1.533 . . . . 0.0 113.081 174.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.98 -34.53 77.95 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.27 1.395 . . . . 0.0 112.318 169.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 51.0 mtt . . . . . 0 CA--C 1.55 0.961 0 C-N-CA 124.48 1.112 . . . . 0.0 113.661 172.075 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 37.7 t . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.9 tpt -64.64 -28.16 69.42 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -75.33 -38.04 60.42 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.503 -0.748 . . . . 0.0 112.163 169.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -61.49 -46.52 89.66 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.26 1.024 . . . . 0.0 111.583 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.8 tt -62.82 -41.04 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 121.643 -0.66 . . . . 0.0 112.725 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -60.48 -48.68 80.71 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.343 0.974 . . . . 0.0 110.957 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.15 -45.8 86.9 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.263 0.625 . . . . 0.0 112.165 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 46.9 tp -68.06 -40.77 82.72 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.809 0.844 . . . . 0.0 112.709 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.7 tp -77.98 -26.01 48.45 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.449 1.1 . . . . 0.0 112.329 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.95 79.5 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.518 -0.739 . . . . 0.0 112.224 168.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -57.5 -46.59 83.58 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.314 -0.866 . . . . 0.0 112.618 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 51.3 p -65.24 -38.1 89.31 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.49 -44.27 91.5 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.956 0.902 . . . . 0.0 112.204 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 74.3 m -59.93 -41.44 91.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.831 0.852 . . . . 0.0 111.79 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -66.31 -33.68 76.28 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.116 -0.99 . . . . 0.0 113.223 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.9 -49.29 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.469 0.708 . . . . 0.0 110.033 170.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -65.91 -40.38 91.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.692 1.197 . . . . 0.0 112.347 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 34.9 mtp-105 -58.91 -47.59 84.45 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.429 1.092 . . . . 0.0 112.326 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.38 -36.08 73.91 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.53 -42.21 95.9 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.699 0.681 . . . . 0.0 112.42 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.3 99.23 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 174.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.6 85.08 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.748 0.819 . . . . 0.0 112.246 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -61.24 -40.53 94.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.703 1.201 . . . . 0.0 111.44 177.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.083 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 CA--C 1.534 0.518 0 CA-C-O 122.138 0.807 . . . . 0.0 112.933 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 tt -56.32 -35.11 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.654 1.182 . . . . 0.0 113.842 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -64.42 -26.35 68.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.764 0.826 . . . . 0.0 113.203 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -81.16 -55.99 4.38 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.452 -0.78 . . . . 0.0 112.234 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.66 -32.16 73.56 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.901 -1.124 . . . . 0.0 113.284 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -74.25 -23.86 59.21 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.55 -39.4 46.04 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.693 0.679 . . . . 0.0 111.923 167.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.68 -41.45 90.7 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.663 0.785 . . . . 0.0 112.387 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.43 -34.78 78.72 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.22 0.918 . . . . 0.0 112.544 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -69.7 -42.69 73.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.583 0.629 . . . . 0.0 111.487 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -59.59 -38.48 81.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.974 1.31 . . . . 0.0 112.442 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -66.64 -28.53 68.55 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 172.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.5 mtm -92.94 -2.8 55.47 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.168 1.387 . . . . 0.0 114.719 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 114.659 -172.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -68.92 -27.84 66.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.09 0.956 . . . . 0.0 113.197 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -75.91 -48.0 23.06 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.475 -0.765 . . . . 0.0 110.98 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -66.62 -35.43 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.486 -0.759 . . . . 0.0 112.029 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -61.28 -25.83 67.36 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.696 1.135 . . . . 0.0 113.288 174.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -85.24 -50.33 7.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.884 0.874 . . . . 0.0 111.792 170.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 tp -66.96 -45.32 78.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.538 1.135 . . . . 0.0 113.241 -171.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.9 tp -72.85 -23.46 60.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.895 1.278 . . . . 0.0 112.765 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.63 -30.48 56.91 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.739 0.816 . . . . 0.0 112.637 169.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -69.09 -41.0 78.08 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.165 -0.959 . . . . 0.0 112.913 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 p -65.28 -39.29 92.38 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.108 0.563 . . . . 0.0 111.999 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.17 -41.89 93.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.785 1.234 . . . . 0.0 112.191 171.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.7 m -60.74 -41.3 95.11 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.391 0.676 . . . . 0.0 111.9 174.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -66.45 -36.52 82.98 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.494 -0.754 . . . . 0.0 112.459 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -59.69 -52.58 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.446 1.021 . . . . 0.0 110.472 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -56.74 -43.77 81.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.517 0.727 . . . . 0.0 112.477 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 46.1 ttm180 -58.13 -52.39 65.74 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.217 1.407 . . . . 0.0 112.111 176.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.43 -34.34 65.4 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.791 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.67 -44.51 96.82 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.432 1.015 . . . . 0.0 111.808 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.83 91.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.669 0.788 . . . . 0.0 112.342 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.98 86.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.68 0.792 . . . . 0.0 112.126 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.435 1.494 . . . . 0.0 111.584 176.594 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 CA--C 1.539 0.739 0 CA-C-O 121.449 0.521 . . . . 0.0 112.393 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.6 tt -66.61 -25.26 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -171.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -65.51 -28.11 68.95 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.604 -0.685 . . . . 0.0 112.161 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -73.88 -48.36 31.49 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.666 -1.271 . . . . 0.0 112.589 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.47 -34.15 76.59 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.908 -1.12 . . . . 0.0 112.307 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.0 t -63.13 -41.9 99.4 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.804 0.842 . . . . 0.0 112.458 169.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.81 72.36 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.86 -1.15 . . . . 0.0 112.824 174.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.2 -46.52 77.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.039 0.836 . . . . 0.0 111.931 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.66 -32.65 72.64 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.298 1.408 . . . . 0.0 112.898 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -61.63 -46.66 88.85 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.189 0.904 . . . . 0.0 111.25 170.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -65.24 -41.92 93.88 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.262 1.425 . . . . 0.0 113.088 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -67.23 -34.04 76.63 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.189 -0.945 . . . . 0.0 113.022 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 77.4 mtm . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 171.814 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 111.138 0.051 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 11.1 mmt -57.67 -33.1 67.98 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -68.2 -25.75 65.39 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.178 -0.951 . . . . 0.0 113.354 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -75.38 -49.71 18.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.501 1.046 . . . . 0.0 110.893 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.63 -41.65 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.658 1.183 . . . . 0.0 111.716 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -59.11 -46.59 87.93 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.325 0.966 . . . . 0.0 111.83 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -66.04 -51.44 58.23 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.714 0.688 . . . . 0.0 112.853 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.91 -42.07 98.65 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.487 -0.758 . . . . 0.0 112.53 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.97 -30.63 62.6 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.272 0.629 . . . . 0.0 112.523 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.85 77.12 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 170.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -60.34 -51.01 71.36 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.441 1.018 . . . . 0.0 111.791 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 66.9 p -64.31 -39.5 94.04 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 176.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.9 -39.62 95.06 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.697 -1.252 . . . . 0.0 112.078 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 84.1 m -61.52 -38.0 85.77 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.303 -0.873 . . . . 0.0 111.388 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -69.14 -33.84 74.06 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.142 -0.974 . . . . 0.0 112.931 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.9 -49.6 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 120.963 -1.086 . . . . 0.0 109.681 171.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -54.76 -47.06 74.36 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.853 0.861 . . . . 0.0 111.435 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.75 -49.69 76.48 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.167 1.387 . . . . 0.0 112.246 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.83 -44.3 81.46 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.35 0.66 . . . . 0.0 112.748 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -66.73 -39.5 88.0 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.855 0.752 . . . . 0.0 111.907 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.35 83.22 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.218 0.607 . . . . 0.0 112.463 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.4 92.8 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.628 0.771 . . . . 0.0 112.39 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -57.77 -50.38 73.45 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.935 1.294 . . . . 0.0 111.073 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 123.596 0.758 . . . . 0.0 112.67 178.606 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo . . . . . 0 CA--C 1.538 0.715 0 CA-C-O 121.827 0.678 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.3 tt -59.72 -31.87 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -173.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.3 -27.38 68.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.965 0.906 . . . . 0.0 113.049 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -85.37 -52.75 5.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.46 0.704 . . . . 0.0 112.036 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.93 -32.01 73.4 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.524 1.056 . . . . 0.0 113.198 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -67.24 -29.43 69.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.524 0.73 . . . . 0.0 112.875 173.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.71 -33.5 31.09 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.358 -0.839 . . . . 0.0 112.808 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.03 -44.99 95.53 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.275 -0.891 . . . . 0.0 111.65 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.88 -37.2 85.96 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.623 1.101 . . . . 0.0 112.191 178.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -66.7 -44.85 80.58 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.605 0.762 . . . . 0.0 111.51 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.05 -33.47 74.63 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -67.5 -28.23 67.67 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.223 1.009 . . . . 0.0 112.802 172.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.0 mtt -82.3 -9.01 59.64 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.14 1.376 . . . . 0.0 113.354 170.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.61 0 C-N-CA 124.923 1.249 . . . . 0.0 115.923 -178.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.9 tpt . . . . . 0 CA--C 1.544 0.719 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -71.23 -31.57 67.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.082 0.953 . . . . 0.0 113.018 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -71.72 -47.33 54.58 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.73 0.812 . . . . 0.0 111.186 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -63.58 -38.93 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.37 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -58.44 -49.08 78.59 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.822 1.192 . . . . 0.0 111.545 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -63.57 -49.67 72.48 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.931 0.787 . . . . 0.0 112.502 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.02 -46.84 82.66 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.716 0.689 . . . . 0.0 112.019 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.46 -33.29 62.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 122.933 0.493 . . . . 0.0 112.305 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.38 -42.42 83.41 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.971 0.805 . . . . 0.0 112.414 170.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -64.58 -41.48 96.24 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.383 1.073 . . . . 0.0 111.544 178.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 t -62.45 -46.61 87.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.257 1.023 . . . . 0.0 112.897 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.81 -38.72 89.18 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.166 -0.959 . . . . 0.0 112.78 175.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.7 m -59.91 -41.75 92.39 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.106 -0.996 . . . . 0.0 112.061 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.66 -32.74 73.63 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.321 -0.862 . . . . 0.0 113.009 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -56.68 -49.26 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 121.378 -0.826 . . . . 0.0 109.788 171.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.19 -36.88 84.23 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.027 0.931 . . . . 0.0 113.036 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -61.86 -45.48 93.6 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.193 0.906 . . . . 0.0 112.404 173.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.54 -40.16 80.81 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.436 0.695 . . . . 0.0 112.073 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -65.52 -39.71 92.14 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.869 0.759 . . . . 0.0 112.053 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.29 96.89 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.477 0.711 . . . . 0.0 112.142 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.7 91.68 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 124.372 1.069 . . . . 0.0 111.459 176.13 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 CA--C 1.538 0.697 0 N-CA-C 114.044 0.748 . . . . 0.0 114.044 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 tp -55.61 -37.39 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.278 1.431 . . . . 0.0 113.225 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -66.59 -39.34 88.37 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.922 0.889 . . . . 0.0 112.158 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.95 -48.84 42.29 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.985 0.914 . . . . 0.0 112.067 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.76 -33.08 74.85 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.802 1.183 . . . . 0.0 112.734 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.9 t -61.67 -48.62 79.97 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.959 0.903 . . . . 0.0 111.755 168.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.94 80.86 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.55 -1.344 . . . . 0.0 113.021 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.7 -51.85 56.09 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.528 1.131 . . . . 0.0 112.042 175.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.75 -33.52 76.16 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.419 1.463 . . . . 0.0 112.465 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -62.24 -54.5 39.96 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.928 0.891 . . . . 0.0 111.588 174.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.91 -26.14 63.08 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -61.94 -42.43 99.09 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.17 -0.956 . . . . 0.0 111.948 169.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 73.0 mtm . . . . . 0 CA--C 1.545 0.769 0 C-N-CA 124.713 1.205 . . . . 0.0 114.169 172.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -37.08 68.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.23 1.012 . . . . 0.0 113.0 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -64.36 -28.29 69.6 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -79.76 -45.2 19.29 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.145 -0.972 . . . . 0.0 110.924 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.16 -38.94 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.613 0.765 . . . . 0.0 111.985 172.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -58.9 -49.77 76.54 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.488 1.04 . . . . 0.0 111.667 172.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.71 -48.63 79.87 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.321 0.964 . . . . 0.0 112.964 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.01 -53.05 62.75 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.793 0.837 . . . . 0.0 112.477 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.38 -35.15 65.88 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.56 74.77 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.614 0.643 . . . . 0.0 112.61 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.9 -44.01 81.89 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.177 0.899 . . . . 0.0 111.556 174.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 22.2 t -58.95 -43.35 91.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.891 0.477 . . . . 0.0 112.273 173.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.17 -42.39 99.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.304 1.041 . . . . 0.0 112.295 172.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 70.8 m -60.17 -39.54 86.8 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.855 -1.153 . . . . 0.0 111.798 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -65.64 -32.97 74.83 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.441 1.019 . . . . 0.0 112.686 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.78 -50.02 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.694 1.134 . . . . 0.0 109.493 169.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.33 -42.33 95.4 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.948 0.899 . . . . 0.0 112.229 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -59.0 -46.81 87.25 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.258 0.936 . . . . 0.0 112.187 175.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.87 -35.31 62.31 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -62.33 -40.83 97.67 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.002 0.819 . . . . 0.0 111.689 170.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.69 85.45 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.87 89.99 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.412 -0.805 . . . . 0.0 112.137 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -63.24 -41.85 99.12 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.827 0.851 . . . . 0.0 111.426 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 . . . . . 0 CA--C 1.543 0.688 0 O-C-N 121.292 -0.88 . . . . 0.0 112.405 172.293 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo . . . . . 0 CA--C 1.539 0.74 0 N-CA-C 113.932 0.705 . . . . 0.0 113.932 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.6 tp -59.54 -37.25 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.155 0.982 . . . . 0.0 113.061 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -69.57 -29.59 67.19 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -72.39 -52.41 16.15 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.91 0.884 . . . . 0.0 111.272 177.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.89 -30.87 71.54 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.282 -0.887 . . . . 0.0 112.857 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -66.95 -33.06 74.75 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.321 1.048 . . . . 0.0 112.674 170.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.96 -33.34 61.9 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.078 -1.638 . . . . 0.0 112.942 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.15 -46.23 78.19 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.077 0.951 . . . . 0.0 111.452 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.33 -33.06 74.98 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.734 1.152 . . . . 0.0 112.54 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -66.04 -50.26 64.82 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.068 0.849 . . . . 0.0 112.48 173.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -72.87 -27.19 61.77 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -66.34 -34.44 77.98 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.084 -1.01 . . . . 0.0 111.927 167.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.2 mtm -80.62 3.64 21.24 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.313 1.445 . . . . 0.0 113.801 169.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.589 0 C-N-CA 125.801 1.667 . . . . 0.0 115.902 175.101 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.8 mmt . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.27 -28.37 69.68 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -82.22 -45.05 15.57 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.488 1.115 . . . . 0.0 111.34 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.66 -40.43 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.584 0.753 . . . . 0.0 111.668 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.37 -50.74 72.79 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.899 0.772 . . . . 0.0 111.679 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -69.28 -39.19 78.51 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.36 -46.62 87.85 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.197 0.908 . . . . 0.0 111.841 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 tp -74.48 -30.69 61.93 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.309 0.644 . . . . 0.0 112.719 -176.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.66 83.2 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.424 -0.798 . . . . 0.0 112.606 170.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -63.83 -45.48 89.39 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.765 0.826 . . . . 0.0 112.247 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.1 p -66.06 -39.53 90.16 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.73 -41.9 98.25 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.936 -1.102 . . . . 0.0 111.991 172.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.3 m -59.83 -41.55 91.6 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.547 -0.721 . . . . 0.0 111.597 176.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -64.35 -35.3 80.42 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.278 -0.889 . . . . 0.0 113.082 177.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.51 -49.65 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.428 1.013 . . . . 0.0 109.571 172.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -59.37 -43.59 92.84 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.44 0.696 . . . . 0.0 112.315 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -60.75 -47.57 85.68 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.245 1.018 . . . . 0.0 112.704 175.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.28 -45.62 83.73 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.26 -42.14 99.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.762 0.825 . . . . 0.0 111.59 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.82 90.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.567 0.747 . . . . 0.0 112.362 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.38 92.48 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.536 -0.727 . . . . 0.0 112.657 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 124.732 1.213 . . . . 0.0 111.12 177.064 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 CA--C 1.536 0.61 0 N-CA-C 113.957 0.714 . . . . 0.0 113.957 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.9 tt -60.33 -35.73 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -168.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.75 -33.05 74.34 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.95 -57.42 5.04 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.733 0.813 . . . . 0.0 110.984 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.27 -29.52 70.83 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.33 0.968 . . . . 0.0 113.191 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 33.6 t -73.83 -35.2 64.8 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.915 0.886 . . . . 0.0 112.673 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.01 -31.54 58.97 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.073 -1.017 . . . . 0.0 112.616 172.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mp -62.7 -46.94 85.8 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.242 -0.911 . . . . 0.0 111.794 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.81 -35.8 82.27 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.388 0.994 . . . . 0.0 112.454 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -68.09 -41.18 82.24 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.762 0.825 . . . . 0.0 111.875 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -68.41 -32.96 73.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.835 0.854 . . . . 0.0 113.236 173.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -67.05 -25.67 66.37 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.637 -1.289 . . . . 0.0 113.102 170.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 36.3 mtt . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 125.919 1.688 . . . . 0.0 112.972 169.543 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 120.375 0.131 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -39.72 78.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.006 1.322 . . . . 0.0 113.179 -174.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -68.06 -27.63 66.68 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.418 -0.801 . . . . 0.0 112.63 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -72.46 -51.69 19.08 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.294 -0.879 . . . . 0.0 110.953 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.6 tt -63.97 -38.03 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.078 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -57.89 -45.11 86.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.184 1.357 . . . . 0.0 112.476 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -68.86 -47.02 66.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.493 0.588 . . . . 0.0 111.865 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 61.6 tp -67.18 -41.39 85.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.535 1.134 . . . . 0.0 113.32 -174.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.8 tp -79.25 -22.83 44.23 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.599 1.16 . . . . 0.0 112.732 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.88 -32.6 61.91 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.237 -0.914 . . . . 0.0 113.169 168.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -62.72 -42.48 99.67 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.894 1.278 . . . . 0.0 112.753 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 65.8 p -65.96 -45.47 81.62 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.183 0.593 . . . . 0.0 111.968 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.03 -38.31 82.37 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.803 1.241 . . . . 0.0 112.517 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.4 m -60.24 -40.65 91.0 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.97 0.908 . . . . 0.0 111.776 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -73.28 -33.38 65.19 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.045 -1.034 . . . . 0.0 112.735 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 96.2 mt -57.83 -50.22 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.899 0.88 . . . . 0.0 110.267 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -61.27 -42.48 98.7 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.182 0.993 . . . . 0.0 112.195 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -59.13 -47.47 85.16 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.996 1.318 . . . . 0.0 112.082 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.84 -45.72 84.92 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.411 0.684 . . . . 0.0 112.786 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -61.53 -41.72 97.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.269 0.628 . . . . 0.0 111.957 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.67 91.79 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.663 0.785 . . . . 0.0 112.493 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.24 91.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -63.13 -42.99 99.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.451 1.1 . . . . 0.0 111.515 177.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 . . . . . 0 CA--C 1.543 0.704 0 O-C-N 121.07 -1.018 . . . . 0.0 112.925 176.292 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.537 0.643 0 CA-C-O 122.208 0.837 . . . . 0.0 114.094 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.8 tt -61.42 -35.6 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.538 1.135 . . . . 0.0 113.53 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.87 -32.76 74.24 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.685 -0.634 . . . . 0.0 111.697 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -72.56 -50.11 27.8 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.306 -0.871 . . . . 0.0 111.969 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.74 -33.08 75.03 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.556 1.071 . . . . 0.0 112.85 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.1 t -61.85 -47.98 82.59 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.889 0.876 . . . . 0.0 111.912 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.0 79.37 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.236 -0.915 . . . . 0.0 112.358 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.18 -52.41 62.48 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.271 1.028 . . . . 0.0 111.44 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.84 -35.95 81.65 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.236 1.38 . . . . 0.0 111.989 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mtm105 -71.75 -37.59 70.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.82 0.848 . . . . 0.0 112.501 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -70.25 -28.79 65.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.847 0.859 . . . . 0.0 113.301 171.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.9 -30.29 71.28 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.951 1.251 . . . . 0.0 111.856 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.2 mtm -85.43 -1.81 57.44 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.968 1.307 . . . . 0.0 114.188 168.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.284 0 C-N-CA 124.842 1.21 . . . . 0.0 114.621 -177.344 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -79.67 -25.64 41.24 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -72.01 -45.03 62.44 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.464 -0.773 . . . . 0.0 111.228 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 tt -60.42 -40.38 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.736 0.814 . . . . 0.0 111.737 170.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -34.65 73.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.288 0.949 . . . . 0.0 112.201 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -82.51 -53.54 5.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.444 1.098 . . . . 0.0 112.562 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.57 -41.14 89.01 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.516 0.726 . . . . 0.0 112.368 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 tp -71.07 -33.81 70.59 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.701 -0.625 . . . . 0.0 111.973 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.82 87.59 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.703 0.801 . . . . 0.0 112.546 170.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -59.16 -45.5 90.83 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.298 1.839 . . . . 0.0 111.09 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -65.69 -45.29 83.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.312 1.045 . . . . 0.0 112.8 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.31 -39.42 86.94 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.427 1.091 . . . . 0.0 112.174 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.9 m -61.48 -38.02 85.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.578 -0.702 . . . . 0.0 112.187 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -66.25 -33.38 75.62 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.134 -0.979 . . . . 0.0 113.176 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.85 -47.39 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 118.642 0.655 . . . . 0.0 109.669 171.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -61.28 -40.58 94.64 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.6 0.76 . . . . 0.0 112.364 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -58.75 -50.9 72.23 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.331 0.969 . . . . 0.0 112.151 173.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.38 -47.73 82.87 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.828 0.851 . . . . 0.0 111.91 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -64.85 -40.5 95.26 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.436 0.694 . . . . 0.0 112.287 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.67 95.82 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.604 0.638 . . . . 0.0 112.443 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.73 90.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.333 0.653 . . . . 0.0 112.298 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 124.218 1.007 . . . . 0.0 111.071 178.872 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 CA--C 1.539 0.763 0 CA-C-O 122.53 0.971 . . . . 0.0 114.519 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 20.7 tt -56.23 -38.36 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.991 1.716 . . . . 0.0 114.327 -173.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -67.95 -28.92 67.88 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.458 -0.776 . . . . 0.0 112.534 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -78.95 -54.87 5.6 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.679 0.792 . . . . 0.0 111.387 175.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.9 pp -61.56 -32.93 73.03 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.845 -1.16 . . . . 0.0 112.955 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 31.5 t -68.61 -27.18 65.8 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.906 1.282 . . . . 0.0 113.128 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.15 -30.23 21.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.384 1.074 . . . . 0.0 113.194 169.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.27 -41.03 97.1 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.356 -0.84 . . . . 0.0 111.586 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -59.59 -39.4 84.03 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.535 1.061 . . . . 0.0 111.962 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -68.98 -40.22 78.94 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.807 1.243 . . . . 0.0 112.359 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.1 -31.82 72.55 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -70.78 -30.35 66.8 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 120.814 -1.179 . . . . 0.0 112.939 169.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 32.6 mtt . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 125.18 1.392 . . . . 0.0 113.261 169.916 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 71.4 m . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -40.5 80.39 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.206 1.002 . . . . 0.0 112.976 -172.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -67.97 -26.57 65.99 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -80.72 -42.77 21.35 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.64 -1.287 . . . . 0.0 112.243 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 11.0 tt -61.32 -38.89 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.168 0.894 . . . . 0.0 111.203 170.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.78 -51.18 71.08 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.967 0.803 . . . . 0.0 111.921 172.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -62.3 -48.28 80.59 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.722 0.692 . . . . 0.0 112.659 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.36 -44.54 97.0 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.966 0.803 . . . . 0.0 111.326 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.3 tp -72.79 -34.57 67.01 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.98 75.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.192 0.997 . . . . 0.0 113.394 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -63.76 -46.58 84.65 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.884 1.274 . . . . 0.0 111.75 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 70.1 m -65.51 -41.96 92.62 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.556 0.742 . . . . 0.0 112.863 172.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.14 -39.96 92.01 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.264 0.938 . . . . 0.0 112.321 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 85.4 m -61.18 -42.32 98.36 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.325 -0.859 . . . . 0.0 111.734 173.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -69.54 -32.95 72.07 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.1 -51.76 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.406 1.003 . . . . 0.0 109.915 168.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.06 -40.19 94.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.379 1.072 . . . . 0.0 112.573 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -58.82 -49.36 77.99 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.528 1.131 . . . . 0.0 111.836 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.23 -39.22 82.39 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -60.1 -45.4 93.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.363 0.665 . . . . 0.0 112.319 172.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.34 98.91 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.768 0.713 . . . . 0.0 112.29 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.35 87.9 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.454 0.701 . . . . 0.0 112.835 176.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -65.86 -42.32 90.58 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.641 0.777 . . . . 0.0 111.707 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? . . . . . 0 CA--C 1.538 0.496 0 O-C-N 120.844 -1.16 . . . . 0.0 112.395 176.858 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 CA--C 1.538 0.722 0 CA-C-O 122.065 0.777 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.6 tt -61.35 -28.55 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -63.34 -35.65 81.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.423 0.689 . . . . 0.0 112.182 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -74.2 -48.91 25.91 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.827 0.851 . . . . 0.0 112.037 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.27 -31.91 71.7 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.218 0.917 . . . . 0.0 112.349 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.9 t -62.35 -45.39 93.42 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.824 0.85 . . . . 0.0 112.088 167.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.33 -35.89 81.88 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.834 -1.166 . . . . 0.0 112.661 174.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.9 -46.18 79.27 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.241 -0.912 . . . . 0.0 112.096 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' B' ' 145' ' ' LEU . 1.5 pp -64.1 -36.05 82.77 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.223 1.374 . . . . 0.0 112.183 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -65.75 -45.98 80.54 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.455 1.102 . . . . 0.0 111.641 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -68.69 -35.54 77.32 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.369 1.067 . . . . 0.0 113.398 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -66.24 -27.44 67.97 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.052 -1.03 . . . . 0.0 113.389 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.4 mtt -86.47 -5.41 59.16 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.698 1.199 . . . . 0.0 113.925 171.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.626 0 C-N-CA 124.943 1.259 . . . . 0.0 114.791 -179.879 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -74.64 -39.57 62.01 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.895 0.878 . . . . 0.0 112.191 170.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -64.66 -42.2 95.57 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.424 0.69 . . . . 0.0 111.686 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.16 -42.7 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.353 0.661 . . . . 0.0 112.364 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -62.33 -43.38 98.96 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.248 0.931 . . . . 0.0 111.599 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.28 -52.09 66.18 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.358 0.663 . . . . 0.0 112.203 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.29 -41.68 98.71 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.435 0.694 . . . . 0.0 112.433 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.7 tp -77.31 -34.33 55.41 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.656 -0.652 . . . . 0.0 112.39 -174.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.44 77.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.899 0.88 . . . . 0.0 112.65 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -56.49 -46.36 80.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.999 1.72 . . . . 0.0 110.904 174.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -64.42 -46.62 82.41 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 173.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.65 -40.71 95.88 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.914 0.886 . . . . 0.0 112.672 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.3 m -61.46 -38.35 86.92 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.263 -0.898 . . . . 0.0 111.849 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.06 -32.71 74.08 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.161 -0.962 . . . . 0.0 113.297 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.26 -47.98 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.356 0.662 . . . . 0.0 109.971 172.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.29 -39.09 93.22 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.644 1.178 . . . . 0.0 112.802 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -58.85 -47.56 84.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.216 1.006 . . . . 0.0 111.862 172.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.11 -46.85 82.36 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.333 0.653 . . . . 0.0 111.624 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.15 -40.75 97.03 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.694 0.798 . . . . 0.0 112.72 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.82 88.74 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.556 0.616 . . . . 0.0 112.019 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.57 -47.6 75.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.659 0.784 . . . . 0.0 112.183 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 125.348 1.459 . . . . 0.0 111.559 178.597 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo . . . . . 0 CA--C 1.535 0.556 0 CA-C-O 121.712 0.63 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.8 tt -58.63 -29.52 39.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -63.77 -36.37 83.66 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.425 0.69 . . . . 0.0 112.515 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -72.95 -49.92 26.49 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.302 0.641 . . . . 0.0 111.815 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.31 -32.17 73.42 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.223 0.92 . . . . 0.0 112.384 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 17.7 t -61.0 -47.98 83.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.196 0.998 . . . . 0.0 112.371 168.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.2 -33.97 77.26 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.134 -0.979 . . . . 0.0 112.365 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.17 -52.9 52.18 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.29 1.036 . . . . 0.0 111.828 174.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.68 -33.57 76.26 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.618 1.554 . . . . 0.0 112.62 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 47.1 mtm105 -68.74 -43.38 75.99 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.075 0.852 . . . . 0.0 112.897 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.39 -26.68 60.25 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.733 1.151 . . . . 0.0 112.825 176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -67.64 -37.46 82.48 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.052 -1.03 . . . . 0.0 112.519 169.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 73.3 mtm . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 169.549 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -36.13 73.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.824 1.25 . . . . 0.0 112.681 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -64.16 -29.48 70.59 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.179 -0.95 . . . . 0.0 112.909 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -75.08 -43.84 50.83 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.96 0.904 . . . . 0.0 111.473 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 12.7 tt -66.92 -38.84 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.101 0.96 . . . . 0.0 112.088 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -56.24 -42.97 78.2 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.122 0.874 . . . . 0.0 111.473 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.73 -56.07 15.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.731 0.812 . . . . 0.0 111.893 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.46 -44.53 96.18 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.474 -0.766 . . . . 0.0 112.479 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.48 -36.53 71.18 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.208 0.603 . . . . 0.0 112.479 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.22 85.89 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -61.15 -50.76 71.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.496 0.718 . . . . 0.0 112.111 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 10.3 t -60.5 -40.2 90.48 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 145' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.9 tm? -62.22 -43.11 99.58 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.43 1.092 . . . . 0.0 112.512 172.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.1 m -61.35 -35.89 78.69 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.928 -1.107 . . . . 0.0 112.156 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -68.49 -32.88 73.16 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.448 -0.782 . . . . 0.0 112.764 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.3 -51.55 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 119.498 1.045 . . . . 0.0 109.84 170.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.36 -41.98 81.18 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.946 0.898 . . . . 0.0 111.822 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -63.16 -48.39 78.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.66 1.184 . . . . 0.0 112.192 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.15 -36.32 74.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -62.12 -43.15 99.46 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.751 0.705 . . . . 0.0 111.195 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.22 98.21 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.366 0.666 . . . . 0.0 112.585 174.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.85 96.9 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.524 0.73 . . . . 0.0 112.688 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -63.08 -43.26 99.03 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.41 1.084 . . . . 0.0 111.246 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 N--CA 1.473 0.685 0 C-N-CA 123.859 0.864 . . . . 0.0 113.17 175.542 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 CA--C 1.538 0.702 0 N-CA-C 113.818 0.661 . . . . 0.0 113.818 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.5 tt -59.44 -35.96 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -66.16 -27.69 68.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.797 0.839 . . . . 0.0 112.798 175.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.5 -52.73 6.93 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.437 0.695 . . . . 0.0 112.014 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.13 -33.87 76.4 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.306 1.412 . . . . 0.0 113.234 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -68.49 -27.41 66.12 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.913 1.285 . . . . 0.0 113.417 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.89 -36.94 23.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.308 1.043 . . . . 0.0 112.168 170.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.63 -40.85 97.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.302 1.041 . . . . 0.0 112.157 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.32 -34.11 77.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.034 1.288 . . . . 0.0 112.649 176.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -70.08 -41.0 74.68 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.046 0.939 . . . . 0.0 111.543 172.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.15 -35.12 79.74 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.094 1.358 . . . . 0.0 112.744 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.43 -27.11 65.91 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.191 -0.943 . . . . 0.0 113.095 171.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.1 mtt -80.55 -6.88 58.89 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.882 1.273 . . . . 0.0 113.125 168.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.414 0 C-N-CA 125.744 1.64 . . . . 0.0 115.656 -179.673 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -72.35 -27.14 62.22 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 173.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -79.26 -49.31 12.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.853 0.861 . . . . 0.0 111.588 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.2 tt -61.1 -38.13 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.028 0.931 . . . . 0.0 112.412 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.97 -43.59 94.98 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.188 0.904 . . . . 0.0 111.853 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -70.97 -45.71 63.61 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.732 -0.605 . . . . 0.0 112.117 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.41 -43.06 82.17 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.078 1.351 . . . . 0.0 113.101 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.45 -35.8 68.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.731 0.812 . . . . 0.0 111.879 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.92 83.34 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 172.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -59.97 -47.5 85.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.19 0.996 . . . . 0.0 111.709 171.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 t -60.46 -42.95 97.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.519 0.728 . . . . 0.0 111.958 175.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.7 -42.13 99.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.402 1.081 . . . . 0.0 113.012 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.9 m -61.79 -39.28 91.14 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.058 -1.026 . . . . 0.0 112.552 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -65.23 -30.18 71.04 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.964 -1.085 . . . . 0.0 113.043 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.01 -48.79 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.247 -0.908 . . . . 0.0 110.133 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -64.05 -37.09 86.18 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.408 1.083 . . . . 0.0 112.382 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -61.32 -43.39 98.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.387 1.075 . . . . 0.0 112.424 174.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.71 -45.91 77.24 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.959 0.504 . . . . 0.0 111.703 175.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.98 -36.41 83.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.524 0.73 . . . . 0.0 112.954 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.44 94.17 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.108 0.867 . . . . 0.0 112.04 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.31 84.81 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.604 0.762 . . . . 0.0 112.889 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 124.441 1.097 . . . . 0.0 111.262 177.438 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo . . . . . 0 CA--C 1.539 0.741 0 N-CA-C 113.956 0.714 . . . . 0.0 113.956 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 14.7 tt -64.68 -29.45 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -169.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -67.11 -31.79 72.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.574 0.75 . . . . 0.0 112.085 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -74.33 -49.25 23.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.059 0.944 . . . . 0.0 111.752 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.54 -32.5 73.32 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.498 -0.751 . . . . 0.0 112.731 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 28.2 t -63.53 -45.66 89.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.279 0.632 . . . . 0.0 111.976 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.82 77.31 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.319 -1.488 . . . . 0.0 112.848 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.7 mp -63.73 -48.21 77.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.635 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.98 -34.57 78.04 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.261 1.391 . . . . 0.0 112.526 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -61.71 -50.67 71.49 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.608 0.763 . . . . 0.0 111.34 171.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -66.7 -33.7 76.21 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -62.14 -33.29 74.2 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.238 0.926 . . . . 0.0 112.593 172.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 23.6 mtt . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 125.018 1.327 . . . . 0.0 113.439 175.33 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -33.92 68.92 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -172.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.57 -27.74 64.36 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.269 -0.894 . . . . 0.0 113.208 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -72.54 -48.35 40.97 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.088 -1.007 . . . . 0.0 110.86 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.2 tt -65.48 -40.61 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.06 0.944 . . . . 0.0 111.856 176.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -58.71 -50.14 74.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.797 1.18 . . . . 0.0 111.648 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.67 -50.64 70.39 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.803 0.728 . . . . 0.0 112.078 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.58 -43.87 92.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.048 0.84 . . . . 0.0 112.432 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.3 tp -75.95 -30.99 58.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.397 0.679 . . . . 0.0 112.205 -175.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.53 -42.04 75.18 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.458 -0.776 . . . . 0.0 112.21 170.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.86 -46.54 88.99 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.697 1.599 . . . . 0.0 112.049 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 53.6 p -68.2 -39.45 82.46 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.058 0.943 . . . . 0.0 112.999 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.45 -39.78 94.49 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.008 0.822 . . . . 0.0 112.13 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 85.5 m -63.72 -38.22 90.29 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.376 -0.827 . . . . 0.0 111.41 175.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -66.77 -33.8 76.43 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.179 -0.951 . . . . 0.0 113.267 175.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.41 -52.49 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 119.691 1.132 . . . . 0.0 110.009 168.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -58.33 -42.42 86.74 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.744 0.817 . . . . 0.0 111.903 -178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -61.15 -46.48 90.38 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.792 0.837 . . . . 0.0 112.771 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.09 -38.39 72.4 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -62.77 -43.15 99.56 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.294 0.638 . . . . 0.0 111.494 173.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.2 94.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.788 0.835 . . . . 0.0 113.088 174.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.8 -42.88 90.13 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.848 0.859 . . . . 0.0 112.607 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -63.36 -40.3 96.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.984 0.914 . . . . 0.0 111.447 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 N--CA 1.476 0.873 0 O-C-N 121.069 -1.019 . . . . 0.0 112.991 173.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 CA--C 1.538 0.717 0 CA-C-O 121.956 0.732 . . . . 0.0 113.104 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.11 -28.59 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -172.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -62.12 -35.07 77.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.487 0.715 . . . . 0.0 112.174 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -77.57 -50.62 12.18 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.704 0.802 . . . . 0.0 112.207 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.41 -32.57 74.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.472 1.033 . . . . 0.0 112.526 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.3 m -70.86 -33.84 71.04 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.041 0.536 . . . . 0.0 112.181 173.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.72 -35.5 72.75 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.167 -0.958 . . . . 0.0 112.865 170.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.44 -50.36 71.8 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.212 0.914 . . . . 0.0 111.527 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.28 -35.98 82.59 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.784 1.174 . . . . 0.0 112.71 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -67.56 -41.19 84.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.985 0.914 . . . . 0.0 112.244 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -70.64 -35.41 72.89 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.893 0.877 . . . . 0.0 112.898 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.94 -31.77 72.88 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.879 -1.138 . . . . 0.0 112.891 173.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.3 mtt -80.17 -7.38 58.92 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.397 1.079 . . . . 0.0 113.817 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.597 0 C-N-CA 124.686 1.136 . . . . 0.0 114.735 177.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -68.16 -33.67 74.89 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.346 -0.846 . . . . 0.0 112.95 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -67.33 -47.83 69.32 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.577 -0.702 . . . . 0.0 111.786 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 tt -67.2 -39.23 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.457 0.703 . . . . 0.0 112.409 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.29 -48.37 80.69 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.109 0.868 . . . . 0.0 111.765 174.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.59 -50.65 68.58 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.313 0.506 . . . . 0.0 112.245 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.9 -46.6 89.98 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.752 0.706 . . . . 0.0 112.426 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.2 tp -74.84 -35.04 62.4 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.892 -0.505 . . . . 0.0 112.254 -173.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.58 85.19 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.465 -0.772 . . . . 0.0 112.765 170.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.51 -45.49 92.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.108 1.363 . . . . 0.0 111.631 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -60.16 -45.46 92.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.537 0.735 . . . . 0.0 112.521 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.05 -44.25 97.09 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.062 0.945 . . . . 0.0 112.7 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.1 m -60.22 -36.71 78.3 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.05 -1.032 . . . . 0.0 112.353 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -67.22 -32.91 74.27 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.262 -0.899 . . . . 0.0 112.778 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.51 -50.68 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 119.111 0.869 . . . . 0.0 110.069 172.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.23 -38.41 90.96 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.358 1.063 . . . . 0.0 112.21 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -59.68 -47.07 87.1 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.249 1.02 . . . . 0.0 111.939 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.46 -45.34 84.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.373 0.669 . . . . 0.0 112.142 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.02 -40.18 94.48 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.913 0.778 . . . . 0.0 112.886 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.41 -45.96 92.15 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.314 0.646 . . . . 0.0 111.805 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.53 81.44 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.342 0.657 . . . . 0.0 112.476 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 CA--C 1.54 0.572 0 C-N-CA 124.859 1.264 . . . . 0.0 111.891 179.16 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo . . . . . 0 CA--C 1.537 0.641 0 CA-C-O 121.42 0.508 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 9.6 tt -62.35 -27.71 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -64.6 -27.95 69.29 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.267 -0.896 . . . . 0.0 113.386 174.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.17 -51.26 12.5 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.35 0.977 . . . . 0.0 111.972 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.47 -31.33 72.49 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.114 -0.991 . . . . 0.0 112.192 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 49.1 m -70.48 -41.4 72.77 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.383 0.673 . . . . 0.0 112.331 171.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.98 74.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.977 -1.077 . . . . 0.0 112.322 174.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.89 -49.99 66.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.356 1.062 . . . . 0.0 111.961 173.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.7 -34.84 77.68 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.115 1.325 . . . . 0.0 112.762 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -63.9 -46.56 84.29 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 118.558 -0.734 . . . . 0.0 112.48 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.05 -26.12 61.18 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.019 0.827 . . . . 0.0 113.101 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.4 -28.36 69.73 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.285 -0.884 . . . . 0.0 113.256 168.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 74.1 mtm . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 125.552 1.541 . . . . 0.0 114.255 179.048 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.474 0.773 0 CA-C-O 120.396 0.141 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -36.64 72.27 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.333 1.053 . . . . 0.0 112.881 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -22.8 63.16 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 175.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.87 -49.25 18.46 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.359 0.982 . . . . 0.0 110.379 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.7 tt -67.11 -40.78 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.639 1.175 . . . . 0.0 112.003 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.62 -36.44 78.63 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.235 0.925 . . . . 0.0 111.989 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -73.06 -58.28 3.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.007 0.821 . . . . 0.0 112.361 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.06 -43.58 98.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.689 0.796 . . . . 0.0 113.13 -173.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 21.0 tp -75.26 -23.74 57.52 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.896 0.879 . . . . 0.0 112.921 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -81.19 -37.13 29.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.922 0.889 . . . . 0.0 113.315 168.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -59.69 -51.85 68.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.071 1.349 . . . . 0.0 111.147 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 44.5 p -62.51 -39.36 93.26 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.147 0.979 . . . . 0.0 112.714 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.32 -39.69 91.45 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.034 -1.041 . . . . 0.0 112.331 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 97.0 m -60.93 -35.74 77.5 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.005 -1.059 . . . . 0.0 112.016 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.44 -31.84 67.67 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.993 -1.067 . . . . 0.0 113.143 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 78.9 mt -58.82 -52.89 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.657 1.117 . . . . 0.0 109.451 169.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -57.59 -42.58 83.47 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.196 0.999 . . . . 0.0 112.48 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -60.05 -48.88 79.89 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.103 0.961 . . . . 0.0 112.486 177.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.42 -35.35 60.99 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -60.97 -43.92 98.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.365 0.529 . . . . 0.0 111.551 171.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.82 98.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.412 0.685 . . . . 0.0 112.499 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.61 94.14 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.611 0.764 . . . . 0.0 112.904 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -66.08 -41.5 90.62 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.806 0.842 . . . . 0.0 111.181 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 . . . . . 0 CA--C 1.549 0.912 0 O-C-N 120.664 -1.273 . . . . 0.0 113.009 176.123 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo . . . . . 0 CA--C 1.534 0.503 0 CA-C-O 121.925 0.719 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 tt -53.41 -35.92 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.967 1.307 . . . . 0.0 113.822 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -65.46 -32.73 74.5 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.46 0.704 . . . . 0.0 112.297 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.61 -47.2 33.64 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.243 -0.911 . . . . 0.0 112.072 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.56 -31.03 70.82 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.62 1.1 . . . . 0.0 112.216 175.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.5 t -65.8 -46.86 77.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.399 0.68 . . . . 0.0 111.653 169.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.58 75.46 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.422 -1.424 . . . . 0.0 112.412 174.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.88 -52.38 56.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.201 1.0 . . . . 0.0 112.649 174.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.9 -32.16 73.51 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.526 1.512 . . . . 0.0 112.826 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -63.83 -48.1 78.15 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.071 0.948 . . . . 0.0 110.762 171.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.95 -37.51 85.02 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.659 1.184 . . . . 0.0 112.832 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -64.46 -30.96 71.99 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.362 -0.837 . . . . 0.0 112.71 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.1 mtm -87.26 4.15 43.82 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.302 1.441 . . . . 0.0 114.065 171.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.576 0 C-N-CA 125.113 1.339 . . . . 0.0 115.524 179.704 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.2 mmt . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -71.39 -30.79 66.53 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 175.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -71.41 -45.46 62.66 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.044 0.938 . . . . 0.0 110.555 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.4 tt -69.45 -41.35 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.44 0.696 . . . . 0.0 111.736 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -58.83 -41.72 87.53 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.421 1.01 . . . . 0.0 112.267 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -71.21 -51.7 23.25 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.755 0.707 . . . . 0.0 111.768 176.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.46 -39.83 85.35 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.531 -0.731 . . . . 0.0 112.452 -172.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.6 tp -74.33 -27.07 60.52 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.503 1.121 . . . . 0.0 112.768 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.79 -31.99 63.54 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.314 -0.866 . . . . 0.0 112.16 168.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -64.13 -47.19 80.91 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.03 -1.044 . . . . 0.0 112.666 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.3 p -64.15 -39.84 94.89 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.415 0.686 . . . . 0.0 112.467 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.21 -44.88 92.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.438 1.017 . . . . 0.0 111.655 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.8 m -62.54 -32.26 73.18 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.264 -0.897 . . . . 0.0 112.052 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -67.78 -33.57 75.09 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.622 -1.299 . . . . 0.0 113.353 173.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.85 -46.66 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-N 119.023 0.829 . . . . 0.0 110.022 171.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -58.0 -46.19 85.62 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.332 1.053 . . . . 0.0 111.341 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -61.79 -42.84 99.51 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.578 1.151 . . . . 0.0 112.966 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.82 -48.73 80.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.578 0.751 . . . . 0.0 111.816 176.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.81 -35.51 77.08 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.76 0.824 . . . . 0.0 111.99 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.37 88.59 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.385 0.674 . . . . 0.0 112.424 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.0 96.62 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.47 -0.769 . . . . 0.0 112.704 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 CA--C 1.544 0.746 0 C-N-CA 124.185 0.994 . . . . 0.0 111.275 175.482 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 CA--C 1.535 0.525 0 CA-C-O 122.082 0.784 . . . . 0.0 113.122 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.2 tt -61.15 -30.05 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.354 1.062 . . . . 0.0 113.838 -173.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -68.72 -29.55 67.99 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.518 -0.739 . . . . 0.0 112.821 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -78.49 -45.1 22.84 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.798 0.839 . . . . 0.0 112.497 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.94 -32.83 74.35 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.469 1.031 . . . . 0.0 111.718 173.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.7 t -62.8 -46.7 86.77 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.642 0.777 . . . . 0.0 111.805 168.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -34.93 75.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.848 -1.158 . . . . 0.0 112.889 175.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.3 mp -67.2 -49.89 62.92 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.894 0.878 . . . . 0.0 112.472 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.7 -35.07 79.7 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.357 1.435 . . . . 0.0 112.412 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -62.62 -43.91 97.62 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.218 1.007 . . . . 0.0 112.107 172.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.54 -38.41 89.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.025 1.33 . . . . 0.0 112.515 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -62.54 -37.08 84.7 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.961 -1.087 . . . . 0.0 113.291 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 71.8 mtm . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 173.717 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 6.4 tpt -66.3 -22.08 66.28 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -168.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -79.0 -37.19 39.87 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.043 -1.036 . . . . 0.0 112.777 170.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.29 -38.62 78.4 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.342 -0.849 . . . . 0.0 112.166 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.0 tt -61.1 -43.33 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.139 0.576 . . . . 0.0 111.522 171.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -64.7 -41.22 96.17 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.527 0.603 . . . . 0.0 111.754 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.97 -53.99 50.48 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.932 0.893 . . . . 0.0 112.445 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.63 -42.61 99.14 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.658 0.783 . . . . 0.0 111.724 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.3 tp -76.31 -27.6 56.62 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.847 0.859 . . . . 0.0 112.815 -176.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.3 68.97 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.142 0.977 . . . . 0.0 112.359 169.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.04 -49.45 74.55 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.269 0.627 . . . . 0.0 112.125 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 65.2 p -62.12 -37.82 86.57 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.92 -42.39 99.04 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.032 -1.043 . . . . 0.0 112.498 171.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.2 m -62.06 -38.08 87.4 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 121.186 -0.946 . . . . 0.0 112.074 176.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -66.92 -33.93 76.68 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.364 -0.835 . . . . 0.0 113.115 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.01 -51.27 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.269 -0.895 . . . . 0.0 110.09 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.84 -39.46 89.18 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.207 1.003 . . . . 0.0 111.961 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -58.62 -48.68 80.17 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.486 1.114 . . . . 0.0 111.737 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.77 -34.44 66.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.626 0.77 . . . . 0.0 112.59 -178.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -61.17 -43.83 98.26 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.286 0.948 . . . . 0.0 112.239 169.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.28 97.25 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.145 0.43 . . . . 0.0 112.121 176.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.98 90.82 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -62.3 -46.02 90.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.963 1.305 . . . . 0.0 111.387 177.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 . . . . . 0 CA--C 1.545 0.751 0 O-C-N 121.634 -0.666 . . . . 0.0 111.931 175.927 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 CA--C 1.543 0.957 0 N-CA-C 114.437 0.899 . . . . 0.0 114.437 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.79 -36.76 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -170.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -65.99 -25.35 67.05 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -82.17 -55.28 4.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.579 0.752 . . . . 0.0 111.326 173.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.18 -34.94 75.87 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.135 -0.978 . . . . 0.0 113.132 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.4 t -66.19 -34.76 78.76 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.793 0.837 . . . . 0.0 112.793 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.43 -40.13 44.48 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.12 -0.987 . . . . 0.0 111.492 172.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.51 -41.15 98.52 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.998 0.919 . . . . 0.0 112.721 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.74 -36.18 83.02 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.28 1.4 . . . . 0.0 112.098 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -71.47 -38.57 71.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.628 0.771 . . . . 0.0 111.905 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.35 -36.99 85.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.058 1.343 . . . . 0.0 112.723 173.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.84 -33.62 74.5 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.034 0.934 . . . . 0.0 112.529 171.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.1 mtm -82.89 -3.05 56.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.145 1.378 . . . . 0.0 114.645 171.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.397 0 O-C-N 121.031 -1.043 . . . . 0.0 113.699 -175.752 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.07 -26.95 65.2 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.988 0.915 . . . . 0.0 112.771 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -78.99 -43.5 24.25 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.213 -0.93 . . . . 0.0 111.581 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.91 -38.21 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.665 172.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.74 -31.83 66.85 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.927 1.239 . . . . 0.0 112.721 173.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.6 -60.07 2.52 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.173 0.989 . . . . 0.0 111.944 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -61.44 -42.93 99.52 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.0 0.92 . . . . 0.0 112.999 -173.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.75 -35.97 70.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.36 0.664 . . . . 0.0 112.276 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.16 -37.88 72.21 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.686 0.794 . . . . 0.0 112.319 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -62.03 -44.01 97.61 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.525 1.13 . . . . 0.0 111.43 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -63.25 -42.6 99.2 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.698 0.799 . . . . 0.0 111.943 174.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.85 -36.26 80.69 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.304 1.042 . . . . 0.0 112.525 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -60.2 -36.19 77.11 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.148 -0.97 . . . . 0.0 112.177 175.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -70.38 -36.95 74.44 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.246 -0.908 . . . . 0.0 112.15 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.6 -49.94 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 110.976 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -58.37 -43.54 88.48 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.923 0.889 . . . . 0.0 113.185 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -65.31 -43.39 91.18 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.115 0.566 . . . . 0.0 112.358 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.88 -38.9 79.97 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.565 0.746 . . . . 0.0 112.481 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -61.26 -46.05 91.96 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.272 0.629 . . . . 0.0 111.536 171.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.64 91.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.144 0.578 . . . . 0.0 112.448 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.84 92.37 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.109 -0.995 . . . . 0.0 112.726 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 124.135 0.974 . . . . 0.0 111.119 176.887 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo . . . . . 0 CA--C 1.535 0.574 0 CA-C-O 121.799 0.666 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.1 -25.57 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -175.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -61.29 -37.24 82.5 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.736 0.814 . . . . 0.0 112.546 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -75.02 -48.16 25.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.709 0.804 . . . . 0.0 112.169 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.25 -32.63 73.79 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 119.209 0.913 . . . . 0.0 112.442 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 18.5 t -62.2 -49.39 75.97 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.72 0.808 . . . . 0.0 111.58 167.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -33.13 72.5 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.706 -1.246 . . . . 0.0 112.577 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.35 -51.02 61.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.68 1.192 . . . . 0.0 112.094 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.96 -35.33 80.29 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.237 1.381 . . . . 0.0 112.107 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -65.17 -47.26 77.62 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.04 0.936 . . . . 0.0 112.594 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -72.68 -27.09 61.88 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.393 0.997 . . . . 0.0 113.637 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -66.51 -35.62 80.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.6 1.091 . . . . 0.0 112.479 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.7 mtt . . . . . 0 N--CA 1.476 0.866 0 C-N-CA 124.157 0.983 . . . . 0.0 113.241 170.033 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -33.25 64.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.437 1.095 . . . . 0.0 113.455 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -74.21 -27.47 60.8 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.062 -1.024 . . . . 0.0 113.019 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -71.74 -42.52 67.17 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 120.125 1.329 . . . . 0.0 111.488 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 9.4 tt -65.27 -38.96 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.615 0.766 . . . . 0.0 111.154 171.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -59.63 -46.75 88.07 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.403 1.001 . . . . 0.0 111.467 173.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -64.4 -48.16 76.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.988 0.915 . . . . 0.0 112.165 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.25 -48.28 78.89 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.64 -0.662 . . . . 0.0 111.419 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.1 tp -77.26 -23.85 51.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.547 0.739 . . . . 0.0 112.661 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.72 85.44 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.014 -1.054 . . . . 0.0 112.217 167.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.85 -46.2 90.5 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.946 1.298 . . . . 0.0 111.532 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 90.3 p -66.08 -42.56 89.19 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.94 -41.76 98.32 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.292 -0.88 . . . . 0.0 112.342 176.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 96.7 m -62.18 -39.59 93.21 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.373 -0.83 . . . . 0.0 111.786 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -68.09 -34.77 77.02 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.92 -52.16 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 118.825 0.738 . . . . 0.0 109.899 171.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -66.32 -36.09 82.05 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.34 1.056 . . . . 0.0 112.775 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -62.05 -46.8 87.54 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.413 1.085 . . . . 0.0 112.288 174.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.58 -40.85 84.83 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.464 0.705 . . . . 0.0 112.075 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.1 -40.89 95.18 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.598 0.635 . . . . 0.0 112.636 175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.31 97.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.507 0.723 . . . . 0.0 112.338 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.96 97.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.363 0.665 . . . . 0.0 112.718 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -64.48 -43.75 93.18 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.188 0.995 . . . . 0.0 111.48 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 . . . . . 0 CA--C 1.543 0.689 0 O-C-N 120.872 -1.143 . . . . 0.0 113.044 175.353 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo . . . . . 0 CA--C 1.533 0.443 0 CA-C-O 122.313 0.88 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 tt -58.99 -31.33 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.629 1.172 . . . . 0.0 113.654 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.08 -34.45 77.61 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.24 -0.912 . . . . 0.0 112.631 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -74.35 -50.09 20.14 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.828 0.851 . . . . 0.0 112.208 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.92 -30.01 70.53 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.665 1.12 . . . . 0.0 112.166 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -67.99 -33.16 74.1 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.169 0.987 . . . . 0.0 113.193 170.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.67 -34.54 62.72 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 119.985 -1.697 . . . . 0.0 112.558 171.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.55 -42.39 98.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.904 0.882 . . . . 0.0 112.218 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' B' ' 145' ' ' LEU . 2.6 pp -65.92 -39.51 90.59 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.493 1.042 . . . . 0.0 112.537 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -66.66 -42.08 87.16 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.593 0.633 . . . . 0.0 111.104 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -66.05 -36.13 82.39 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -66.03 -33.13 75.11 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.48 1.036 . . . . 0.0 113.214 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.4 mtt -76.85 -10.65 59.52 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.538 1.135 . . . . 0.0 113.665 172.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.415 0 C-N-CA 124.819 1.199 . . . . 0.0 113.87 -173.593 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 50.6 tpp . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -67.78 -27.37 66.7 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.575 -1.328 . . . . 0.0 113.46 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -68.42 -44.69 74.44 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.784 0.834 . . . . 0.0 110.84 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.1 tt -73.41 -37.99 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.018 0.927 . . . . 0.0 111.698 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -55.74 -48.16 75.71 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.339 0.972 . . . . 0.0 111.319 170.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.35 -46.91 78.3 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.683 0.793 . . . . 0.0 113.089 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.1 mt -62.05 -50.46 71.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.203 0.911 . . . . 0.0 112.278 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 tp -76.03 -32.78 59.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.339 0.655 . . . . 0.0 112.629 -169.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.84 -30.69 68.24 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -66.21 -43.09 87.71 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.575 1.15 . . . . 0.0 111.828 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.3 m -63.64 -41.68 98.21 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.84 -41.2 95.33 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.929 0.891 . . . . 0.0 112.081 175.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.6 m -61.32 -42.3 98.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.445 0.698 . . . . 0.0 111.672 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -67.23 -33.3 75.07 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.395 -0.815 . . . . 0.0 113.194 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.32 -47.69 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 121.411 -0.806 . . . . 0.0 110.101 171.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -64.81 -36.16 83.42 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.376 1.071 . . . . 0.0 112.858 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.1 mtp-105 -62.18 -41.26 98.16 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.652 0.781 . . . . 0.0 112.382 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.79 -48.7 70.91 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.263 1.025 . . . . 0.0 111.169 174.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -65.44 -33.27 75.55 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.54 89.41 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.998 0.817 . . . . 0.0 112.6 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.43 -43.99 65.7 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.731 0.812 . . . . 0.0 112.485 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 124.21 1.004 . . . . 0.0 111.796 -179.491 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 CA--C 1.534 0.516 0 CA-C-O 121.471 0.53 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 tt -61.91 -26.93 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -170.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -62.41 -26.4 68.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.661 0.785 . . . . 0.0 112.977 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -80.0 -55.74 4.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.631 0.773 . . . . 0.0 111.188 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.34 -34.62 78.76 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.263 0.938 . . . . 0.0 112.731 -176.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.4 t -67.28 -34.64 77.84 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.668 1.187 . . . . 0.0 113.315 173.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.95 -38.59 66.71 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.546 -0.721 . . . . 0.0 111.943 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.59 -45.22 91.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.098 0.959 . . . . 0.0 112.488 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.37 -34.91 79.02 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.216 1.371 . . . . 0.0 112.539 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -66.52 -44.89 81.26 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.145 0.578 . . . . 0.0 111.629 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.18 -39.62 90.84 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.836 1.254 . . . . 0.0 112.689 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -63.94 -38.12 89.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.909 0.884 . . . . 0.0 112.58 173.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 CA--C 1.55 0.943 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 171.281 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.7 mmt -58.42 -31.03 67.34 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.69 -28.24 65.68 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.13 -0.981 . . . . 0.0 113.198 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -73.17 -49.14 29.82 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.024 -1.047 . . . . 0.0 111.492 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.9 tt -63.59 -41.94 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.029 0.932 . . . . 0.0 112.318 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -61.72 -44.87 96.08 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.74 0.7 . . . . 0.0 111.736 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -65.9 -48.87 70.01 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.567 0.621 . . . . 0.0 112.669 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.42 -46.26 90.85 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.44 -0.788 . . . . 0.0 112.202 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.4 tp -69.88 -36.72 75.69 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.668 0.787 . . . . 0.0 112.323 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.02 81.95 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.196 0.814 . . . . 0.0 113.196 173.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -65.37 -44.62 87.03 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.515 1.052 . . . . 0.0 112.108 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 8.7 t -61.54 -40.01 93.14 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.991 -0.443 . . . . 0.0 111.966 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 145' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 18' ' ' LEU . 2.4 tm? -63.03 -42.05 99.67 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.142 0.977 . . . . 0.0 112.758 171.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 65.4 m -61.29 -38.32 86.34 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 120.844 -1.16 . . . . 0.0 111.966 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -65.52 -32.53 74.18 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.209 -0.932 . . . . 0.0 113.045 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.76 -51.0 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.516 1.053 . . . . 0.0 109.953 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -59.13 -42.24 90.18 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.138 0.975 . . . . 0.0 111.889 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -64.5 -43.09 95.22 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.884 1.274 . . . . 0.0 112.866 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.81 -37.88 79.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.112 0.869 . . . . 0.0 112.618 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -59.32 -46.21 89.2 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.911 0.778 . . . . 0.0 111.41 172.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.57 -43.62 98.36 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.986 0.914 . . . . 0.0 112.583 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.42 92.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.502 0.721 . . . . 0.0 112.39 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -66.51 -40.84 89.41 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.531 0.732 . . . . 0.0 112.019 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 . . . . . 0 CA--C 1.541 0.632 0 O-C-N 120.558 -1.339 . . . . 0.0 112.485 176.136 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 0 CA--C 1.539 0.727 0 CA-C-O 121.647 0.603 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.98 -34.0 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -173.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -70.0 -24.95 63.39 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.085 -1.009 . . . . 0.0 112.685 176.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -73.37 -51.05 18.77 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.52 -0.737 . . . . 0.0 111.375 175.796 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.8 -33.12 75.23 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 120.74 -1.225 . . . . 0.0 112.784 176.141 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -69.11 -30.2 68.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 173.763 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.05 60.88 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.33 -0.857 . . . . 0.0 111.524 168.557 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.15 -42.88 95.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.802 0.841 . . . . 0.0 112.653 -177.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.09 -38.52 91.37 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.581 1.082 . . . . 0.0 112.702 176.387 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -68.8 -39.98 79.82 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.485 -0.759 . . . . 0.0 112.839 174.687 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -61.75 -39.88 93.16 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.471 1.108 . . . . 0.0 112.038 174.49 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -68.48 -37.27 79.97 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 174.02 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.3 mtt -64.47 -23.74 67.38 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.199 1.0 . . . . 0.0 113.547 173.112 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.494 0 C-N-CA 125.319 1.438 . . . . 0.0 114.312 -171.751 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -67.34 -30.51 70.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.107 0.963 . . . . 0.0 113.168 177.359 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.16 -43.38 67.64 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.99 0.814 . . . . 0.0 111.013 177.49 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tt -75.32 -37.95 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 123.547 0.739 . . . . 0.0 111.783 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.65 -36.69 74.52 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.7 1.136 . . . . 0.0 112.1 173.786 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -70.01 -58.07 4.26 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.864 0.757 . . . . 0.0 112.566 174.093 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.66 -42.96 98.02 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.425 -0.797 . . . . 0.0 112.942 -174.273 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 tp -76.63 -23.67 53.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.897 0.879 . . . . 0.0 112.585 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.53 -37.82 50.1 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.243 -0.911 . . . . 0.0 112.783 165.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -65.27 -44.86 86.71 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.269 -0.894 . . . . 0.0 112.082 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.2 p -62.77 -38.63 91.33 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 172.299 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.82 -40.91 98.86 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.769 -1.207 . . . . 0.0 111.933 170.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.5 m -61.59 -37.09 82.59 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.2 1.0 . . . . 0.0 111.605 176.146 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.23 -33.6 75.69 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.271 -0.893 . . . . 0.0 113.106 174.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.92 -47.53 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 121.289 -0.882 . . . . 0.0 110.268 171.178 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -55.55 -47.73 75.89 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.311 1.044 . . . . 0.0 111.814 174.107 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -55.36 -49.68 71.65 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.122 1.769 . . . . 0.0 111.732 178.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.98 -36.37 62.02 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -62.43 -41.31 98.62 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.248 0.931 . . . . 0.0 111.55 172.363 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.38 95.06 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.559 0.744 . . . . 0.0 112.49 173.527 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.33 96.16 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.706 0.802 . . . . 0.0 112.637 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 124.386 1.075 . . . . 0.0 111.295 177.009 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 CA--C 1.532 0.392 0 CA-C-O 122.062 0.776 . . . . 0.0 113.769 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.21 -31.01 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 124.371 1.068 . . . . 0.0 113.478 -174.387 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -67.56 -34.26 76.7 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.586 0.754 . . . . 0.0 112.523 175.715 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -72.6 -48.4 40.07 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.34 -0.85 . . . . 0.0 111.629 -177.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.8 -32.54 73.18 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.942 -1.098 . . . . 0.0 112.667 175.469 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 32.4 t -62.57 -48.26 80.23 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.847 0.859 . . . . 0.0 111.178 170.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.19 88.66 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.157 -0.965 . . . . 0.0 112.413 176.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.94 -51.7 65.89 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.155 -0.926 . . . . 0.0 112.807 175.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.86 -33.99 77.1 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.454 1.479 . . . . 0.0 112.751 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -71.58 -36.93 71.05 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.778 0.831 . . . . 0.0 112.524 176.626 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.96 -40.3 87.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.117 1.367 . . . . 0.0 112.585 171.312 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -65.39 -18.64 65.47 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 173.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 75.5 mtm . . . . . 0 CA--C 1.546 0.806 0 C-N-CA 126.167 1.787 . . . . 0.0 113.637 172.273 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 34.8 p . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -33.64 72.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.561 0.745 . . . . 0.0 111.732 170.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -66.95 -38.95 87.08 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.367 -0.833 . . . . 0.0 112.347 174.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -63.18 -47.87 80.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.207 0.912 . . . . 0.0 112.236 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.07 -40.16 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 118.936 -0.554 . . . . 0.0 112.055 175.281 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.72 -44.76 93.61 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.212 0.915 . . . . 0.0 111.795 174.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -62.09 -53.14 59.63 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.004 0.922 . . . . 0.0 112.405 178.698 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.2 -42.41 84.21 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.965 -0.459 . . . . 0.0 112.015 -175.263 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.6 tp -74.4 -24.34 59.1 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.01 67.51 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.981 -1.075 . . . . 0.0 113.095 166.239 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -66.54 -45.95 77.73 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.921 -1.112 . . . . 0.0 112.394 -177.457 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 73.7 p -61.68 -42.08 98.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 171.665 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.65 -38.79 86.02 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.52 1.128 . . . . 0.0 112.753 175.768 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 90.5 m -60.86 -40.62 93.62 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.377 -0.827 . . . . 0.0 111.438 173.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -72.7 -34.18 66.96 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.276 -0.89 . . . . 0.0 112.895 177.097 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.07 -50.72 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.224 0.92 . . . . 0.0 109.991 171.105 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -61.84 -41.06 97.36 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.56 0.744 . . . . 0.0 112.785 177.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -59.5 -46.33 89.13 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.382 1.073 . . . . 0.0 112.489 174.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 -47.5 83.76 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.572 0.749 . . . . 0.0 111.915 176.473 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -64.98 -39.7 93.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.616 0.766 . . . . 0.0 112.325 -179.052 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.38 94.39 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.522 0.729 . . . . 0.0 112.291 174.204 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.73 84.83 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.543 -0.723 . . . . 0.0 112.719 177.898 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.15 -41.14 97.99 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.856 1.262 . . . . 0.0 112.006 177.531 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 . . . . . 0 CA--C 1.538 0.491 0 C-N-CA 123.561 0.744 . . . . 0.0 111.827 174.459 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo . . . . . 0 CA--C 1.538 0.692 0 CA-C-O 121.749 0.645 . . . . 0.0 113.009 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.06 -31.28 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -171.899 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -65.56 -30.97 71.78 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.304 -0.872 . . . . 0.0 112.693 176.32 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -73.07 -53.4 11.18 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.156 -0.965 . . . . 0.0 111.519 177.75 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.73 -31.85 73.16 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.377 -0.827 . . . . 0.0 112.475 178.111 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -62.9 -57.34 11.15 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.348 1.059 . . . . 0.0 111.677 170.071 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.53 73.29 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.913 -1.117 . . . . 0.0 113.147 -178.229 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.67 -46.8 83.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.993 0.815 . . . . 0.0 111.823 176.59 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.33 -33.71 76.33 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.329 0.968 . . . . 0.0 112.211 -179.022 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -69.21 -54.27 15.68 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.57 -0.706 . . . . 0.0 110.677 174.722 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.95 -42.34 93.86 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.236 1.815 . . . . 0.0 112.603 -176.701 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -17.04 58.24 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -176.741 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.2 mtt -84.85 -6.28 59.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.671 1.188 . . . . 0.0 112.814 164.155 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.693 0 C-N-CA 125.595 1.569 . . . . 0.0 114.843 -177.018 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -68.28 -38.83 82.1 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.29 -0.881 . . . . 0.0 111.642 174.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -65.82 -46.39 78.8 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.393 -0.817 . . . . 0.0 111.628 -178.195 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.85 -41.59 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.708 0.803 . . . . 0.0 111.505 178.579 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -60.95 -46.1 92.07 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.389 0.995 . . . . 0.0 111.73 173.581 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -64.86 -48.81 72.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.106 0.962 . . . . 0.0 112.609 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.05 -45.76 92.15 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.99 0.814 . . . . 0.0 111.82 178.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 tp -74.1 -34.99 64.14 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.366 0.666 . . . . 0.0 112.169 -175.312 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.15 82.67 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.724 0.809 . . . . 0.0 112.863 171.704 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -58.97 -45.8 89.65 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.495 1.118 . . . . 0.0 111.114 173.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 t -62.11 -48.46 80.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.184 0.994 . . . . 0.0 112.58 175.816 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.78 -42.55 97.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.014 0.926 . . . . 0.0 112.865 176.303 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.5 m -60.09 -37.73 80.84 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.46 -0.775 . . . . 0.0 111.502 178.279 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -70.14 -32.56 70.61 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.681 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.34 -50.79 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.368 0.985 . . . . 0.0 109.677 171.759 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.36 -41.59 97.31 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.595 1.158 . . . . 0.0 111.954 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -63.5 -42.12 98.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.987 0.915 . . . . 0.0 112.584 175.407 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.08 -45.72 87.43 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.695 0.798 . . . . 0.0 112.488 175.015 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.16 -42.9 99.7 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 118.933 -0.555 . . . . 0.0 111.974 176.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.87 96.48 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.369 0.668 . . . . 0.0 112.415 175.154 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.49 -45.29 87.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.368 0.667 . . . . 0.0 112.779 178.074 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 CA--C 1.543 0.681 0 C-N-CA 124.442 1.097 . . . . 0.0 111.549 177.743 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 CA--C 1.535 0.567 0 CA-C-O 121.886 0.702 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 8.1 tt -60.29 -30.03 45.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -174.204 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.21 -33.37 75.84 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.597 -0.69 . . . . 0.0 112.401 175.276 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -77.66 -47.2 19.82 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.602 0.761 . . . . 0.0 111.93 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.68 -32.15 73.28 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.656 -1.278 . . . . 0.0 112.445 175.662 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.7 t -59.94 -46.33 89.74 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.967 0.907 . . . . 0.0 112.175 166.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.69 99.49 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.086 -1.009 . . . . 0.0 111.623 176.207 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.12 -46.5 88.78 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.5 0.72 . . . . 0.0 112.462 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.95 -33.68 75.13 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.522 1.51 . . . . 0.0 112.797 177.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -69.8 -38.37 76.61 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.56 0.744 . . . . 0.0 111.872 174.114 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -64.31 -40.67 96.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.076 1.35 . . . . 0.0 112.098 171.58 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -65.58 -34.25 77.81 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 175.577 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 172.39 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.469 0.481 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -33.82 53.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.272 1.029 . . . . 0.0 111.898 164.483 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -67.39 -30.17 69.88 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.743 0.817 . . . . 0.0 112.881 176.086 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -77.14 -48.24 18.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.154 0.982 . . . . 0.0 112.011 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.78 -42.02 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.909 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -48.05 80.06 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.868 0.758 . . . . 0.0 112.36 177.724 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -68.06 -49.45 61.28 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.815 -0.553 . . . . 0.0 111.784 178.854 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 26.6 tp -66.99 -41.39 86.82 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.622 -0.674 . . . . 0.0 112.808 -173.77 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.7 tp -69.93 -37.26 75.84 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.869 0.868 . . . . 0.0 112.652 176.068 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.07 -39.08 86.77 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 175.18 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -62.91 -46.58 87.16 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.289 0.949 . . . . 0.0 111.655 175.303 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 23.1 t -58.19 -47.11 84.44 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.022 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.6 -41.9 98.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.957 0.903 . . . . 0.0 112.303 177.434 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.2 m -63.07 -36.73 84.55 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.333 -0.854 . . . . 0.0 112.111 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -64.39 -33.32 75.58 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.236 -0.915 . . . . 0.0 113.087 177.447 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.82 -47.68 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.157 -0.965 . . . . 0.0 110.281 173.222 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.36 -32.22 73.01 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.579 1.152 . . . . 0.0 113.005 -175.215 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -60.19 -46.34 90.04 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.764 0.826 . . . . 0.0 111.927 170.059 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 -39.59 72.51 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 178.692 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -59.32 -43.62 92.66 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.335 0.97 . . . . 0.0 111.828 172.591 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.59 94.35 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.474 0.71 . . . . 0.0 112.707 176.299 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.68 97.75 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.696 0.68 . . . . 0.0 112.819 175.749 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.61 -44.22 91.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.914 0.886 . . . . 0.0 111.092 176.796 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 CA--C 1.545 0.781 0 O-C-N 121.077 -1.014 . . . . 0.0 112.566 175.572 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 CA--C 1.536 0.594 0 CA-C-O 122.41 0.921 . . . . 0.0 113.633 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.3 tt -70.28 -27.14 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -164.164 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -69.55 -29.75 67.4 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.684 -0.635 . . . . 0.0 112.26 173.326 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -71.71 -52.06 19.73 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.016 0.927 . . . . 0.0 111.733 178.334 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.46 -34.38 78.16 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.542 -0.724 . . . . 0.0 112.23 177.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.2 t -62.31 -42.82 99.68 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.401 1.08 . . . . 0.0 112.524 169.888 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.38 95.18 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.001 -1.062 . . . . 0.0 111.873 174.378 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.61 -45.48 92.7 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 112.637 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.47 -35.05 78.42 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.141 1.337 . . . . 0.0 112.603 178.525 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -64.99 -46.37 81.73 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.653 0.781 . . . . 0.0 111.614 172.188 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -64.73 -33.1 75.17 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.225 1.01 . . . . 0.0 112.644 178.166 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -60.74 -37.76 82.84 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.195 0.907 . . . . 0.0 112.962 171.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.6 mtm -87.46 4.26 44.01 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.99 1.316 . . . . 0.0 114.176 173.012 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.413 0 C-N-CA 124.6 1.095 . . . . 0.0 115.527 179.124 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.818 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.55 -32.84 74.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.628 0.771 . . . . 0.0 112.994 176.173 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -73.85 -46.18 46.57 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.595 0.758 . . . . 0.0 111.617 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 tt -65.7 -40.97 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.89 176.245 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -59.34 -45.48 91.27 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.773 1.169 . . . . 0.0 111.806 175.712 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -64.91 -51.59 61.06 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.68 -42.34 95.41 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.935 0.788 . . . . 0.0 112.897 -178.728 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 tp -77.15 -24.29 51.57 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.052 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.81 -38.34 62.11 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.331 -0.855 . . . . 0.0 113.033 164.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -57.98 -53.32 59.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.97 1.308 . . . . 0.0 112.381 178.221 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.9 p -64.01 -39.08 93.3 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.134 0.573 . . . . 0.0 112.177 177.634 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.94 -40.3 95.07 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.137 0.975 . . . . 0.0 112.32 174.008 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.1 m -61.52 -41.94 98.07 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.265 -0.897 . . . . 0.0 111.62 175.261 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.45 -34.18 76.67 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.44 -0.787 . . . . 0.0 113.047 177.795 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.8 mt -58.44 -49.9 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 119.228 0.922 . . . . 0.0 109.554 169.667 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -60.43 -38.14 83.15 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.844 -179.265 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -62.59 -53.43 54.74 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.451 1.023 . . . . 0.0 112.009 173.107 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.47 -34.99 63.28 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -171.192 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -60.9 -46.86 88.95 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.119 0.872 . . . . 0.0 111.542 171.337 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.77 97.93 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.228 0.611 . . . . 0.0 111.975 177.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.69 86.24 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.821 0.737 . . . . 0.0 112.435 178.538 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 . . . . . 0 CA--C 1.546 0.807 0 C-N-CA 124.363 1.065 . . . . 0.0 111.669 178.341 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 CA--C 1.537 0.632 0 CA-C-O 121.904 0.71 . . . . 0.0 113.148 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.3 tt -63.86 -30.0 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -173.426 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -63.81 -35.25 80.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.232 0.613 . . . . 0.0 112.148 175.544 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -71.68 -52.15 19.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.201 1.001 . . . . 0.0 111.612 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.04 -32.0 73.22 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.822 0.737 . . . . 0.0 112.365 178.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t -65.99 -37.8 86.87 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.281 1.033 . . . . 0.0 112.713 173.102 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.43 72.02 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.589 -0.694 . . . . 0.0 112.088 171.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.02 -41.68 97.35 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.351 1.06 . . . . 0.0 113.139 -178.749 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.82 -34.78 78.95 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.742 1.61 . . . . 0.0 112.145 178.055 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.4 -40.39 73.91 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.142 0.977 . . . . 0.0 111.426 175.258 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -64.78 -41.43 95.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.3 1.44 . . . . 0.0 112.438 175.05 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -65.57 -30.82 71.61 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.379 -0.826 . . . . 0.0 112.54 173.854 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 69.3 mtm . . . . . 0 CA--C 1.547 0.837 0 C-N-CA 124.949 1.3 . . . . 0.0 113.88 169.822 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 111.547 0.203 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.4 mmt -57.69 -29.61 64.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.261 0.624 . . . . 0.0 112.533 168.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.64 -39.58 88.32 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.4 -0.812 . . . . 0.0 112.204 172.79 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -63.82 -50.56 68.44 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.397 0.544 . . . . 0.0 111.595 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 tt -66.08 -41.42 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.362 0.665 . . . . 0.0 112.114 -178.33 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -62.76 -38.59 91.16 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.164 0.893 . . . . 0.0 112.308 175.718 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -69.04 -56.55 7.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.458 0.703 . . . . 0.0 112.279 176.46 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.6 -44.4 90.73 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.618 0.767 . . . . 0.0 112.232 -174.47 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.57 -34.38 72.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.017 0.527 . . . . 0.0 112.017 -177.299 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.74 73.59 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 170.517 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -61.25 -47.58 85.39 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.211 -0.93 . . . . 0.0 111.555 176.587 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 69.0 m -61.17 -42.48 98.64 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.57 -38.7 88.48 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.527 -0.733 . . . . 0.0 112.726 176.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 94.9 m -63.08 -39.22 94.08 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.211 -0.931 . . . . 0.0 112.052 175.538 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -67.55 -34.49 77.19 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.997 -1.064 . . . . 0.0 113.153 178.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.25 -50.58 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.688 -0.632 . . . . 0.0 109.865 172.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.14 -38.25 90.02 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.89 0.876 . . . . 0.0 112.344 -179.105 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 45.5 ttm180 -58.25 -47.66 82.86 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.746 1.218 . . . . 0.0 112.149 175.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.83 -42.94 80.68 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.326 0.651 . . . . 0.0 112.216 177.802 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -65.52 -38.64 90.28 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.61 97.18 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.232 0.613 . . . . 0.0 111.987 174.642 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.51 87.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.377 0.671 . . . . 0.0 112.132 176.025 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -63.82 -43.27 96.73 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.96 0.904 . . . . 0.0 111.676 178.366 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 . . . . . 0 CA--C 1.537 0.453 0 O-C-N 120.562 -1.336 . . . . 0.0 112.496 175.116 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 CA--C 1.534 0.488 0 CA-C-O 121.935 0.723 . . . . 0.0 113.454 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.12 -31.55 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.005 0.922 . . . . 0.0 113.483 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.56 -33.8 76.77 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.824 0.85 . . . . 0.0 112.222 175.031 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -75.2 -51.78 12.54 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.874 0.87 . . . . 0.0 111.541 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.06 -31.1 72.15 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.289 -0.882 . . . . 0.0 112.789 178.186 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.1 t -68.53 -34.29 75.61 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.91 0.884 . . . . 0.0 112.974 171.645 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.17 -32.87 65.11 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.536 -1.352 . . . . 0.0 113.004 170.798 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.67 -45.3 87.27 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.988 -1.07 . . . . 0.0 111.837 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.37 -35.54 81.26 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.052 1.296 . . . . 0.0 112.587 177.275 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -65.06 -45.23 86.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.782 0.833 . . . . 0.0 111.346 173.643 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -66.08 -32.44 73.9 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.632 0.773 . . . . 0.0 112.851 176.322 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -68.07 -31.04 70.39 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.738 -1.226 . . . . 0.0 113.339 170.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.8 mtt -80.24 -9.29 59.72 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.004 1.321 . . . . 0.0 113.594 171.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.545 0 C-N-CA 125.062 1.315 . . . . 0.0 114.972 -178.146 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.43 -33.23 75.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.273 0.629 . . . . 0.0 112.554 176.544 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -74.06 -48.58 28.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.848 0.859 . . . . 0.0 111.584 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 tt -63.71 -39.76 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 121.722 -0.611 . . . . 0.0 112.03 176.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -58.61 -35.86 73.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.241 0.928 . . . . 0.0 112.181 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.59 -55.17 6.2 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.542 0.737 . . . . 0.0 112.14 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.6 -45.49 92.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.248 0.619 . . . . 0.0 112.404 -174.729 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.5 tp -72.01 -34.68 69.06 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.229 0.612 . . . . 0.0 111.904 -176.479 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.46 75.81 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 172.324 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -64.87 -42.94 94.43 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.214 -0.929 . . . . 0.0 111.979 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.7 t -60.33 -44.45 95.48 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.433 0.693 . . . . 0.0 112.214 172.092 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.65 -39.34 91.0 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.144 0.978 . . . . 0.0 112.74 174.003 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.6 m -61.54 -39.31 90.63 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.715 -1.241 . . . . 0.0 111.954 175.684 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -68.76 -27.95 66.36 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.791 0.836 . . . . 0.0 112.932 177.568 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.08 -55.1 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 120.579 -1.326 . . . . 0.0 109.94 168.19 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -62.19 -36.86 83.2 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.086 0.954 . . . . 0.0 112.448 -175.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -56.11 -51.67 67.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.607 1.563 . . . . 0.0 112.212 172.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.87 -36.59 72.86 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.485 0.714 . . . . 0.0 112.47 -178.531 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.95 -43.46 95.77 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.642 0.655 . . . . 0.0 112.654 173.772 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.53 98.99 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.517 0.599 . . . . 0.0 111.738 175.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.21 85.49 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 175.853 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 . . . . . 0 CA--C 1.548 0.902 0 C-N-CA 124.744 1.218 . . . . 0.0 111.463 177.436 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.236 0.378 0 CA-C-O 121.818 0.674 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 10.1 tp -57.71 -30.85 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.216 1.007 . . . . 0.0 113.331 -176.319 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -61.26 -32.11 71.93 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.751 1.22 . . . . 0.0 113.16 176.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -78.89 -54.91 5.57 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.241 1.016 . . . . 0.0 111.956 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.09 -30.06 71.15 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.112 -0.992 . . . . 0.0 112.541 179.038 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 23.2 t -70.98 -32.6 69.48 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 171.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.87 -36.49 75.54 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.886 1.221 . . . . 0.0 112.756 170.604 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.58 -44.56 93.3 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.854 0.862 . . . . 0.0 112.021 -179.262 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.15 -29.05 67.0 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.633 1.106 . . . . 0.0 113.368 178.121 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -67.66 -50.89 55.54 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.844 0.858 . . . . 0.0 110.858 175.234 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -72.98 -21.8 60.79 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.084 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -60.48 -35.97 77.18 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.898 -1.126 . . . . 0.0 112.174 165.012 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 67.7 mtm . . . . . 0 CA--C 1.546 0.81 0 C-N-CA 125.499 1.52 . . . . 0.0 113.457 171.099 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 54.8 p . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 121.502 0.668 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -28.54 67.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.61 0.764 . . . . 0.0 112.971 175.517 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -74.36 -29.12 61.43 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.653 1.181 . . . . 0.0 112.779 176.489 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -75.97 -44.06 41.63 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.101 -0.999 . . . . 0.0 112.31 179.626 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.81 -38.94 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.848 0.859 . . . . 0.0 112.211 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -56.06 -44.64 79.1 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.928 0.785 . . . . 0.0 111.509 177.423 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -66.76 -51.88 50.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.759 0.824 . . . . 0.0 111.6 -179.18 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.29 -45.83 89.57 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.847 0.859 . . . . 0.0 112.383 -177.537 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.3 tp -73.13 -34.41 66.09 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.257 0.623 . . . . 0.0 111.716 -174.62 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.01 77.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.645 0.778 . . . . 0.0 112.762 170.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -62.16 -43.09 99.61 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.25 -0.907 . . . . 0.0 111.847 175.035 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 26.7 t -63.3 -45.52 91.01 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.618 0.767 . . . . 0.0 112.073 175.2 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.63 -40.76 93.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.734 1.213 . . . . 0.0 112.862 175.139 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 80.4 m -60.39 -39.23 86.55 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.566 0.746 . . . . 0.0 112.328 179.21 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.75 -31.52 72.21 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.424 -0.798 . . . . 0.0 112.807 177.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.5 -51.84 68.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 O-C-N 120.971 -1.081 . . . . 0.0 110.027 173.029 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.26 -41.33 96.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.487 1.115 . . . . 0.0 112.08 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -59.04 -48.66 80.79 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.283 1.433 . . . . 0.0 112.313 176.271 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.6 -34.25 69.7 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 179.42 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.39 -41.56 98.76 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.033 0.833 . . . . 0.0 112.481 171.26 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.36 99.26 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.38 0.672 . . . . 0.0 112.109 175.35 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.89 95.63 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.551 0.741 . . . . 0.0 112.284 174.38 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.05 -42.76 99.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.512 1.125 . . . . 0.0 111.477 177.421 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 . . . . . 0 CA--C 1.543 0.707 0 O-C-N 121.158 -0.964 . . . . 0.0 112.549 175.592 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 CA--C 1.537 0.663 0 CA-C-O 121.801 0.667 . . . . 0.0 113.472 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 tp -59.79 -31.71 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.73 0.812 . . . . 0.0 112.886 178.42 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -64.66 -39.03 92.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.037 0.935 . . . . 0.0 112.796 175.625 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -70.57 -49.63 45.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.545 0.738 . . . . 0.0 111.659 -176.499 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.08 -32.36 73.77 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.313 -0.867 . . . . 0.0 112.507 176.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.5 m -67.87 -38.87 83.63 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.393 0.677 . . . . 0.0 112.458 172.747 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.24 79.63 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.888 -1.133 . . . . 0.0 112.393 172.543 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.17 -50.46 65.86 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.753 1.221 . . . . 0.0 112.103 175.838 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.85 -34.92 79.26 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.533 1.061 . . . . 0.0 112.893 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -68.21 -45.07 74.35 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.651 -0.656 . . . . 0.0 112.009 177.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.76 -29.74 64.83 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.023 0.828 . . . . 0.0 112.914 177.232 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.77 -33.19 75.29 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.904 -1.123 . . . . 0.0 112.432 169.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.7 mtm -82.21 9.66 8.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.573 1.149 . . . . 0.0 113.959 170.07 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.321 0 C-N-CA 124.748 1.166 . . . . 0.0 115.875 171.956 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.89 -31.09 72.16 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.044 0.938 . . . . 0.0 113.443 172.631 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -79.97 -47.91 14.22 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.223 1.009 . . . . 0.0 112.335 -178.472 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.09 -37.35 78.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.004 174.751 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.52 -46.01 84.33 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.563 1.074 . . . . 0.0 111.548 174.447 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -66.68 -54.65 20.89 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.627 0.649 . . . . 0.0 112.076 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.56 -44.09 97.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.89 0.876 . . . . 0.0 111.898 -174.261 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.1 tp -76.29 -25.88 55.33 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -176.65 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -36.15 59.11 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.301 -0.874 . . . . 0.0 112.766 169.423 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -61.98 -51.32 68.54 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.359 1.064 . . . . 0.0 111.734 -179.331 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -62.96 -37.0 85.34 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.588 0.755 . . . . 0.0 112.888 175.519 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' B' ' 118' ' ' LEU . 1.9 tm? -60.93 -42.6 98.46 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.087 -1.008 . . . . 0.0 112.265 172.392 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -59.42 -38.68 81.24 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.463 -0.773 . . . . 0.0 112.013 178.378 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.91 -34.44 77.78 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.946 -1.096 . . . . 0.0 113.053 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.87 -46.51 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.313 -0.867 . . . . 0.0 110.015 172.711 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.06 -39.51 94.23 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.502 1.121 . . . . 0.0 112.062 179.267 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -62.92 -46.55 87.25 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.157 0.89 . . . . 0.0 112.515 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.43 -38.04 83.93 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.338 0.517 . . . . 0.0 112.068 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -64.71 -40.16 94.88 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 173.009 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.14 97.45 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.296 0.639 . . . . 0.0 112.174 174.836 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.49 94.93 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.615 0.766 . . . . 0.0 112.218 175.619 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.543 0.675 0 C-N-CA 123.954 0.902 . . . . 0.0 111.257 174.77 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo . . . . . 0 CA--C 1.535 0.562 0 CA-C-O 122.269 0.862 . . . . 0.0 114.155 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.7 tt -64.16 -32.33 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -168.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -65.66 -35.24 80.22 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.064 -1.023 . . . . 0.0 112.018 172.888 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -76.14 -42.69 45.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.035 0.934 . . . . 0.0 112.581 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.76 -30.9 70.47 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 121.038 1.744 . . . . 0.0 111.978 176.007 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 44.7 t -66.35 -41.48 89.49 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.484 0.713 . . . . 0.0 112.087 168.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.04 89.09 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.942 -1.099 . . . . 0.0 112.291 173.649 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.82 -46.29 75.62 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.832 1.253 . . . . 0.0 112.624 179.446 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 45' ' ' LEU . 1.9 pp -65.31 -34.37 78.18 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.869 1.213 . . . . 0.0 111.231 177.531 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -67.4 -39.05 85.54 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.781 0.832 . . . . 0.0 112.545 171.341 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -64.97 -34.96 79.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.82 1.248 . . . . 0.0 112.3 176.857 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -61.8 -26.34 68.04 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.223 -0.923 . . . . 0.0 113.344 170.289 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 38.5 mtt . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 126.055 1.742 . . . . 0.0 113.412 175.855 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -38.4 70.68 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.797 1.239 . . . . 0.0 112.57 177.077 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.28 -20.59 65.66 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.199 1.0 . . . . 0.0 113.518 176.815 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -78.65 -56.28 4.54 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.104 0.961 . . . . 0.0 110.189 174.647 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 6.7 tt -63.41 -37.03 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.253 1.021 . . . . 0.0 112.215 -178.613 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.09 -29.92 68.9 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.956 1.253 . . . . 0.0 112.912 175.405 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -79.32 -53.88 6.5 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.862 0.756 . . . . 0.0 111.769 173.063 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.33 -46.13 91.0 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.823 0.849 . . . . 0.0 112.864 -176.208 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 20.9 tp -75.82 -22.33 56.41 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.446 1.098 . . . . 0.0 113.236 -176.642 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.28 -33.44 49.5 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.048 -1.033 . . . . 0.0 112.663 167.819 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -65.49 -42.59 91.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.101 0.96 . . . . 0.0 112.599 -178.602 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 72.1 p -64.13 -42.52 96.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.221 0.608 . . . . 0.0 111.941 172.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.78 -40.46 88.33 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.851 1.26 . . . . 0.0 112.247 174.295 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 53.4 m -60.03 -41.83 93.07 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.234 -0.916 . . . . 0.0 112.144 173.535 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.92 -32.24 70.43 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 176.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.11 -53.22 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 120.745 -1.222 . . . . 0.0 110.024 169.582 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.64 -40.5 95.1 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.85 0.86 . . . . 0.0 112.251 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -60.54 -44.95 95.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.952 1.301 . . . . 0.0 112.892 175.056 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.43 -35.07 65.74 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.688 0.676 . . . . 0.0 112.512 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -60.64 -44.79 95.98 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.731 0.696 . . . . 0.0 111.694 170.242 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.43 98.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.341 0.657 . . . . 0.0 112.191 176.608 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.38 95.55 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.738 0.815 . . . . 0.0 112.786 177.663 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -63.14 -38.69 92.16 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.528 1.131 . . . . 0.0 112.345 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 123.516 0.726 . . . . 0.0 112.523 175.54 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 112.044 -0.422 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -68.88 165.57 29.42 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.768 2.978 . . . . 0.0 112.66 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.74 158.12 44.5 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.129 0.871 . . . . 0.0 114.226 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.9 p -72.86 -16.36 61.59 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -142.26 153.32 43.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.54 1.536 . . . . 0.0 111.72 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -83.48 32.27 0.46 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.638 1.575 . . . . 0.0 112.964 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.29 107.79 3.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.864 1.666 . . . . 0.0 112.622 -168.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.19 33.1 17.28 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 126.796 2.038 . . . . 0.0 115.087 170.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.0 151.81 85.18 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 124.905 1.282 . . . . 0.0 112.862 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.23 163.34 38.98 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.048 2.499 . . . . 0.0 113.65 -172.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 tp -59.65 -31.31 46.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.373 1.069 . . . . 0.0 113.793 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.21 -37.29 86.83 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.348 -0.845 . . . . 0.0 112.473 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -72.69 -49.88 28.54 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.367 0.667 . . . . 0.0 112.098 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -67.81 -31.97 72.19 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.124 0.875 . . . . 0.0 112.302 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.9 t -62.5 -49.59 74.75 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.693 0.797 . . . . 0.0 111.812 168.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.18 90.11 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.323 -0.861 . . . . 0.0 111.74 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.53 -51.34 65.89 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.002 -0.999 . . . . 0.0 112.475 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.96 -33.85 76.75 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.689 1.586 . . . . 0.0 112.545 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -71.2 -35.3 71.5 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.465 0.706 . . . . 0.0 112.731 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.3 -38.18 81.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.105 1.362 . . . . 0.0 112.187 171.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -62.65 -27.38 69.18 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.218 -0.926 . . . . 0.0 113.171 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 66.8 mtm -96.06 3.22 53.54 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.349 1.46 . . . . 0.0 114.083 172.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.64 43.63 97.63 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.354 1.454 . . . . 0.0 115.143 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -60.9 158.42 13.22 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -176.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -90.8 45.86 1.29 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.555 1.542 . . . . 0.0 112.217 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.9 51.08 42.61 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 124.769 1.176 . . . . 0.0 113.833 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.62 -160.68 23.72 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.861 1.696 . . . . 0.0 115.101 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.77 162.51 25.23 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.754 1.169 . . . . 0.0 113.623 -175.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 p -156.52 170.63 21.92 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.104 1.362 . . . . 0.0 112.648 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.38 13.66 44.77 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 124.927 1.251 . . . . 0.0 115.235 172.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.89 41.47 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 118.658 1.229 . . . . 0.0 114.681 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.9 59.59 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.797 1.189 . . . . 0.0 115.801 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.0 p -71.16 169.27 15.44 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.541 1.537 . . . . 0.0 112.052 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -35.01 70.93 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.344 -0.847 . . . . 0.0 111.803 170.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -67.39 -38.59 84.94 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.077 -1.015 . . . . 0.0 112.175 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -61.81 -50.52 71.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.212 1.005 . . . . 0.0 111.924 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.01 -43.27 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 112.16 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -59.2 -44.31 92.23 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.706 1.139 . . . . 0.0 112.123 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -64.71 -48.64 73.93 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.637 0.653 . . . . 0.0 112.387 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.51 -47.48 85.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.757 0.708 . . . . 0.0 112.258 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -78.02 -23.58 48.17 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -173.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.7 -39.67 66.83 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.371 -0.831 . . . . 0.0 112.216 165.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -62.91 -46.75 86.32 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.919 0.887 . . . . 0.0 112.147 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.2 p -62.9 -41.59 99.49 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.19 -41.46 99.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.228 1.011 . . . . 0.0 112.49 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.3 m -60.94 -41.08 95.54 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.3 -0.875 . . . . 0.0 111.815 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -67.28 -34.86 78.29 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.032 -1.042 . . . . 0.0 113.064 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.9 mt -57.42 -52.1 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.524 -0.735 . . . . 0.0 109.931 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.28 -37.88 89.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.826 0.85 . . . . 0.0 112.562 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -58.86 -48.31 81.8 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.727 1.211 . . . . 0.0 111.985 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.63 -41.42 83.95 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.411 0.684 . . . . 0.0 112.35 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.57 -41.42 96.3 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.866 0.757 . . . . 0.0 112.788 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.77 91.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.439 0.696 . . . . 0.0 112.3 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.29 84.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.336 0.654 . . . . 0.0 112.178 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -57.04 -50.81 71.6 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.486 1.514 . . . . 0.0 111.531 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -62.84 -37.88 88.59 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.666 0.786 . . . . 0.0 112.665 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.07 -49.95 39.11 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.45 -28.27 65.96 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.3 -33.32 73.39 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.439 0.904 . . . . 0.0 113.439 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -92.32 -31.02 15.53 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.15 -40.14 74.94 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.179 0.9 . . . . 0.0 113.313 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -77.96 -6.39 54.26 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -74.89 -16.5 60.67 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.946 1.698 . . . . 0.0 115.263 -173.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.798 1.639 . . . . 0.0 114.032 179.407 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -67.64 148.39 77.94 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.869 3.046 . . . . 0.0 112.717 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.58 -1.67 87.49 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.603 1.097 . . . . 0.0 115.435 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 82.9 p -154.67 167.11 31.24 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.617 1.567 . . . . 0.0 112.563 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 55.43 66.84 1.12 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.834 2.054 . . . . 0.0 114.185 176.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.68 135.01 56.4 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.044 0.937 . . . . 0.0 111.688 171.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -155.94 156.22 34.17 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.423 1.489 . . . . 0.0 110.739 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.4 20.79 4.98 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.523 1.929 . . . . 0.0 115.188 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.08 153.38 94.69 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 124.62 1.168 . . . . 0.0 112.116 172.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -62.1 155.54 55.38 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.37 2.713 . . . . 0.0 112.885 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.31 -30.36 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -63.72 -36.86 85.26 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.409 0.684 . . . . 0.0 112.016 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -71.37 -51.52 23.71 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.261 -0.899 . . . . 0.0 111.793 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.48 -32.15 73.67 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.712 -0.617 . . . . 0.0 112.492 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 55.2 m -70.11 -41.05 74.49 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.786 0.834 . . . . 0.0 112.801 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.58 -34.51 78.41 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.082 -1.011 . . . . 0.0 112.272 172.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.17 -49.25 68.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.103 0.961 . . . . 0.0 111.937 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.53 -32.91 74.56 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.631 1.56 . . . . 0.0 112.943 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -68.15 -44.33 76.25 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.798 0.726 . . . . 0.0 112.56 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.42 -25.44 59.44 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.84 -38.83 89.68 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.993 -1.067 . . . . 0.0 112.413 165.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 75.1 mtm -81.34 8.62 8.74 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.822 1.249 . . . . 0.0 113.915 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.91 8.34 65.18 Favored Glycine 0 CA--C 1.536 1.387 0 N-CA-C 116.928 1.531 . . . . 0.0 116.928 169.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -68.94 155.89 39.51 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.656 1.728 . . . . 0.0 112.183 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -77.31 64.64 2.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.801 1.241 . . . . 0.0 111.614 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 83.15 -139.65 19.27 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.304 1.43 . . . . 0.0 112.792 -174.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -168.58 -155.05 9.29 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.661 1.124 . . . . 0.0 113.283 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -162.84 -138.1 2.33 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.817 1.199 . . . . 0.0 112.78 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 43.8 t -58.76 134.65 57.03 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.899 0.88 . . . . 0.0 112.363 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -78.38 -7.82 87.76 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.429 1.014 . . . . 0.0 115.016 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.34 -154.66 53.23 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 118.349 1.075 . . . . 0.0 113.525 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 176.01 -10.64 0.03 OUTLIER Glycine 0 CA--C 1.538 1.472 0 N-CA-C 116.401 1.32 . . . . 0.0 116.401 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.7 m -73.31 159.95 32.6 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.097 1.448 . . . . 0.0 111.813 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -36.42 69.98 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.458 -0.776 . . . . 0.0 112.674 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -65.66 -31.64 72.77 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.07 0.948 . . . . 0.0 113.016 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -70.34 -49.55 48.18 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.276 -0.89 . . . . 0.0 111.008 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 10.2 tt -67.84 -40.41 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.61 0.764 . . . . 0.0 112.23 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -60.34 -27.68 67.56 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.936 1.243 . . . . 0.0 112.965 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -78.88 -63.19 1.47 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.958 0.799 . . . . 0.0 112.053 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.2 -39.44 86.33 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.588 0.631 . . . . 0.0 112.621 -169.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.2 -23.14 61.21 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.86 -40.45 24.78 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.165 0.986 . . . . 0.0 112.656 170.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -62.73 -47.99 81.17 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.983 0.913 . . . . 0.0 111.703 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 61.6 p -60.81 -39.02 87.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.51 -41.33 98.76 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.754 -1.216 . . . . 0.0 112.748 171.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.1 m -60.69 -40.09 90.91 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.317 -0.865 . . . . 0.0 111.555 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -66.7 -32.6 74.02 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.268 -0.895 . . . . 0.0 112.768 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.57 -53.66 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.697 1.135 . . . . 0.0 110.148 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.69 -39.79 89.79 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.755 0.822 . . . . 0.0 112.513 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -56.61 -52.42 64.92 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.821 1.648 . . . . 0.0 112.009 173.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.83 -32.12 63.55 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -61.33 -45.87 92.6 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.183 0.902 . . . . 0.0 112.124 168.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.0 97.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.097 0.559 . . . . 0.0 112.183 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.56 83.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.453 0.701 . . . . 0.0 112.692 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -61.26 -44.87 96.54 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.77 1.228 . . . . 0.0 111.533 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.72 -45.16 95.3 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.639 0.776 . . . . 0.0 112.324 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.29 93.73 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.062 0.945 . . . . 0.0 113.487 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.5 pp -77.85 -29.94 50.73 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.07 -46.66 83.33 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.185 -0.947 . . . . 0.0 111.913 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -73.14 -19.63 61.09 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -77.48 -34.43 54.27 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.85 0.86 . . . . 0.0 112.802 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -109.29 10.57 25.62 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -171.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -8.64 57.73 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.989 1.316 . . . . 0.0 114.483 166.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 126.995 2.118 . . . . 0.0 113.172 -178.397 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.139 0 CA-C-O 118.536 -1.146 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -69.26 159.27 54.45 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.804 3.003 . . . . 0.0 112.722 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.14 165.65 53.98 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.034 0.826 . . . . 0.0 113.905 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 m -71.43 -20.64 62.08 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -84.97 146.11 27.38 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.901 1.68 . . . . 0.0 112.766 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -138.14 154.44 49.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.416 1.886 . . . . 0.0 111.944 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.26 152.63 27.97 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.021 1.328 . . . . 0.0 112.258 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.53 12.73 1.61 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.89 2.476 . . . . 0.0 117.035 172.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 156.09 88.78 Favored Pre-proline 0 CA--C 1.554 1.132 0 C-N-CA 124.898 1.279 . . . . 0.0 112.069 171.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.68 157.43 61.0 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.455 2.77 . . . . 0.0 113.769 -174.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.38 -29.5 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -167.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -71.72 -17.56 62.2 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -80.35 -61.03 2.1 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.389 0.995 . . . . 0.0 111.005 169.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.34 -36.64 80.75 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -71.05 -31.74 68.26 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.731 0.812 . . . . 0.0 112.524 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.87 -36.84 62.28 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.281 0.946 . . . . 0.0 111.886 171.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.23 -44.58 87.76 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.394 1.077 . . . . 0.0 112.174 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.52 -34.38 78.13 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.419 1.463 . . . . 0.0 112.337 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -64.2 -45.64 87.4 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.794 0.838 . . . . 0.0 111.124 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -64.94 -40.64 95.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.65 1.58 . . . . 0.0 112.992 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -65.23 -33.2 75.42 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.368 -0.832 . . . . 0.0 112.653 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.0 mtm -81.86 5.71 18.0 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.803 1.241 . . . . 0.0 113.815 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.6 2.56 84.65 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.655 1.598 . . . . 0.0 116.725 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -82.55 118.71 23.47 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.244 1.522 . . . . 0.0 110.731 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -77.82 -5.4 50.71 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.84 165.79 54.75 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 124.487 1.042 . . . . 0.0 113.441 169.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.99 -166.23 31.15 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 121.412 -1.052 . . . . 0.0 114.597 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.13 144.64 7.13 Favored Glycine 0 CA--C 1.541 1.706 0 C-N-CA 125.804 1.668 . . . . 0.0 113.638 -175.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 t -159.63 163.96 34.51 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.364 1.466 . . . . 0.0 112.053 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.03 11.86 0.2 Allowed Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.06 1.314 . . . . 0.0 115.007 174.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.2 178.78 20.27 Favored Glycine 0 CA--C 1.543 1.811 0 C-N-CA 124.795 1.188 . . . . 0.0 114.247 -171.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.08 131.32 2.32 Favored Glycine 0 CA--C 1.533 1.171 0 O-C-N 119.407 -2.231 . . . . 0.0 112.299 -3.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.3 t -163.07 155.33 18.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.519 1.927 . . . . 0.0 110.313 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.0 mmt -61.06 -27.67 68.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.505 0.722 . . . . 0.0 112.566 171.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -70.93 -42.31 70.04 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.274 -0.891 . . . . 0.0 112.321 170.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -64.7 -47.49 78.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.751 1.221 . . . . 0.0 112.603 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 tt -61.2 -41.72 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.539 0.736 . . . . 0.0 112.093 175.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -62.65 -47.91 81.63 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.342 0.974 . . . . 0.0 111.174 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -64.36 -36.93 85.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.429 0.691 . . . . 0.0 112.436 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.3 mt -66.5 -52.0 50.65 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.626 0.648 . . . . 0.0 111.692 172.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.56 -23.78 58.82 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.085 0.954 . . . . 0.0 113.471 -170.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.34 89.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.619 0.768 . . . . 0.0 112.996 171.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -68.17 -44.86 75.0 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.582 0.753 . . . . 0.0 112.137 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.9 p -64.27 -40.43 95.97 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.5 -44.23 97.45 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.699 -1.25 . . . . 0.0 111.778 172.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.1 m -59.81 -39.6 85.55 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 121.548 -0.72 . . . . 0.0 111.726 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.91 -35.76 79.03 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.518 -0.739 . . . . 0.0 112.886 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.4 -49.33 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.631 1.105 . . . . 0.0 109.829 172.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -58.83 -43.95 90.81 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.203 0.601 . . . . 0.0 111.818 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -48.5 78.93 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.65 1.18 . . . . 0.0 111.861 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.43 -45.52 83.53 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.492 0.717 . . . . 0.0 112.535 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -62.07 -44.0 97.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.666 0.666 . . . . 0.0 111.859 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.26 95.94 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.172 0.589 . . . . 0.0 112.127 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -48.44 76.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.859 0.863 . . . . 0.0 112.035 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -57.63 -45.56 85.27 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.747 1.219 . . . . 0.0 111.597 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -61.8 -50.68 71.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.58 0.752 . . . . 0.0 112.122 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.88 99.21 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.2 -27.04 60.62 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -70.78 -47.12 61.25 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.811 1.244 . . . . 0.0 112.679 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -65.62 -26.99 68.07 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.48 -19.52 59.36 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -111.61 -7.88 14.25 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -170.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -91.03 10.08 28.14 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.473 1.909 . . . . 0.0 114.786 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.829 2.052 . . . . 0.0 112.334 -179.861 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.3 152.19 79.61 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.885 3.057 . . . . 0.0 112.912 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.52 -12.05 83.41 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.295 0.95 . . . . 0.0 115.23 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 33.5 t -74.4 132.97 42.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.691 1.196 . . . . 0.0 112.406 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -88.58 149.53 23.53 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.829 1.252 . . . . 0.0 111.653 173.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -68.76 140.06 55.33 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.462 0.705 . . . . 0.0 111.923 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -152.35 156.65 40.0 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.605 1.562 . . . . 0.0 111.467 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.78 14.17 1.71 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.722 2.409 . . . . 0.0 116.394 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.01 155.87 70.49 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.934 1.294 . . . . 0.0 111.064 161.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.16 157.8 38.0 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.608 2.872 . . . . 0.0 113.052 -174.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.7 tt -57.66 -34.01 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -172.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -60.19 -30.34 69.29 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.787 0.835 . . . . 0.0 112.608 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -79.92 -58.52 3.13 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.822 0.849 . . . . 0.0 111.053 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.34 -27.21 69.16 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.67 -1.269 . . . . 0.0 113.855 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 37.8 m -73.84 -33.84 64.29 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.552 0.741 . . . . 0.0 112.182 174.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.19 -39.49 63.14 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.61 -0.681 . . . . 0.0 112.367 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.83 -39.88 90.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.622 0.769 . . . . 0.0 112.347 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.52 -37.85 87.96 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.16 1.345 . . . . 0.0 112.323 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -67.88 -40.03 83.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.444 1.097 . . . . 0.0 111.385 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -64.65 -42.28 95.54 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.61 1.564 . . . . 0.0 112.271 173.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -66.69 -31.08 71.52 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.156 0.889 . . . . 0.0 113.047 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 36.9 mtt -79.18 -8.71 59.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 172.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.34 27.08 70.52 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.395 0.997 . . . . 0.0 113.628 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -67.62 164.63 18.74 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.277 1.431 . . . . 0.0 111.983 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -64.26 -20.36 66.01 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 179.16 166.44 35.05 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.756 1.169 . . . . 0.0 112.842 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.78 168.49 54.26 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.544 1.069 . . . . 0.0 114.087 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 179.55 148.79 8.02 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.059 1.314 . . . . 0.0 112.114 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 88.3 p -77.3 154.78 32.55 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.377 1.471 . . . . 0.0 113.71 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -72.52 133.86 20.11 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 123.963 0.792 . . . . 0.0 112.318 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -79.23 -15.61 79.92 Favored Glycine 0 CA--C 1.54 1.61 0 N-CA-C 116.146 1.218 . . . . 0.0 116.146 -174.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.9 -14.64 12.83 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.455 1.503 . . . . 0.0 116.555 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 69.4 m -71.48 153.11 42.46 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.717 1.759 . . . . 0.0 110.693 168.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -41.32 79.03 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.71 -34.75 79.06 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.22 -0.925 . . . . 0.0 112.696 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -70.68 -46.38 63.28 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.993 0.917 . . . . 0.0 111.462 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.2 tt -64.48 -42.09 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 118.603 -0.713 . . . . 0.0 111.57 175.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -55.75 -56.76 16.69 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.403 1.001 . . . . 0.0 111.672 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -69.62 -38.79 77.36 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.726 -0.609 . . . . 0.0 112.424 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 43.2 tp -70.76 -39.76 73.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.522 1.056 . . . . 0.0 112.816 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 28.7 tp -73.48 -34.92 65.57 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.509 0.724 . . . . 0.0 111.991 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.2 73.32 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 171.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -59.26 -43.84 92.43 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.838 1.255 . . . . 0.0 111.936 176.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 56.7 m -66.4 -43.11 86.71 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 172.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.08 -38.23 85.51 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.445 -0.784 . . . . 0.0 111.947 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 89.9 m -60.82 -44.7 96.57 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.03 -1.044 . . . . 0.0 111.667 173.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -68.01 -34.09 75.84 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.549 0.74 . . . . 0.0 112.68 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.1 -51.3 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.273 1.029 . . . . 0.0 110.72 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -60.7 -42.99 98.31 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.928 0.891 . . . . 0.0 112.405 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -55.78 -49.36 73.38 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.488 1.515 . . . . 0.0 111.684 174.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.15 -46.67 79.97 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.74 0.816 . . . . 0.0 112.546 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -63.28 -40.62 97.88 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.853 0.861 . . . . 0.0 112.083 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.16 84.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.96 0.904 . . . . 0.0 112.343 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.97 94.09 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.437 0.695 . . . . 0.0 112.351 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -63.16 -43.09 99.27 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.371 1.068 . . . . 0.0 111.421 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.73 -34.23 77.41 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.903 0.881 . . . . 0.0 113.24 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.18 -43.59 73.9 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.472 -0.767 . . . . 0.0 112.735 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.61 -27.36 55.72 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.59 -46.86 86.34 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.61 0.764 . . . . 0.0 112.5 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -74.26 -29.93 61.9 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.863 0.865 . . . . 0.0 112.7 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.68 -42.81 85.94 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.086 0.954 . . . . 0.0 112.596 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -76.03 -14.95 60.21 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 20.9 ttp-105 -90.9 -12.45 36.1 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.844 2.057 . . . . 0.0 113.916 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.306 1.443 . . . . 0.0 113.669 175.593 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 112.102 -0.399 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.55 154.16 72.17 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.849 3.033 . . . . 0.0 112.552 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.86 -19.6 79.75 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.45 1.024 . . . . 0.0 114.838 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.8 m -145.89 147.48 31.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.076 1.75 . . . . 0.0 111.499 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -86.64 -6.34 58.89 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -173.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -77.83 30.61 0.16 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.412 1.885 . . . . 0.0 113.587 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.19 67.31 3.13 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.851 2.06 . . . . 0.0 113.763 -169.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.92 39.77 30.83 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.284 1.834 . . . . 0.0 114.192 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -57.56 146.17 65.9 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.16 0.984 . . . . 0.0 112.166 172.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -70.86 166.14 29.92 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 123.744 2.962 . . . . 0.0 113.289 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 tt -60.78 -31.0 48.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -63.42 -36.81 84.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.794 0.838 . . . . 0.0 112.587 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -72.23 -51.84 19.2 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.543 0.737 . . . . 0.0 111.64 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -64.98 -30.87 71.89 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.631 1.105 . . . . 0.0 112.553 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -65.51 -43.57 89.67 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.896 1.278 . . . . 0.0 112.227 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.04 74.66 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.229 -1.545 . . . . 0.0 112.8 173.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.79 -45.38 82.61 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.961 0.905 . . . . 0.0 111.684 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.27 -32.96 74.89 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.692 1.133 . . . . 0.0 112.289 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -66.09 -52.57 47.48 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.72 0.691 . . . . 0.0 112.592 173.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.24 -26.71 64.93 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -66.28 -27.33 67.85 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.173 -0.954 . . . . 0.0 112.926 169.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.4 mtt -91.8 2.58 56.41 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.11 1.364 . . . . 0.0 113.451 172.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.08 6.64 89.07 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 124.846 1.213 . . . . 0.0 115.24 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.92 123.75 27.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.911 1.355 . . . . 0.0 111.275 173.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -97.13 -3.36 41.24 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.917 1.287 . . . . 0.0 113.864 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.84 -163.84 39.55 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.732 1.634 . . . . 0.0 115.162 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.89 -178.9 41.78 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 126.078 1.799 . . . . 0.0 112.676 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.17 -15.63 1.9 Allowed Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.233 1.397 . . . . 0.0 114.474 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 p -66.38 156.5 34.39 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.306 1.043 . . . . 0.0 112.626 170.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 174.77 -156.16 22.28 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.666 1.127 . . . . 0.0 112.642 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.96 -127.89 10.57 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 123.926 0.774 . . . . 0.0 113.646 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.87 3.74 0.06 OUTLIER Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.016 1.293 . . . . 0.0 115.244 -175.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -69.11 161.26 29.45 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.843 1.322 . . . . 0.0 110.681 171.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.9 mmt -53.77 -36.79 62.77 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -69.1 -23.92 64.07 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.853 -1.154 . . . . 0.0 113.525 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -76.55 -49.01 17.47 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.203 1.001 . . . . 0.0 111.366 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -66.87 -38.9 82.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.854 1.262 . . . . 0.0 111.977 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.01 -47.2 83.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.18 0.9 . . . . 0.0 111.428 174.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -68.81 -41.7 78.29 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.218 -0.926 . . . . 0.0 113.011 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.38 -49.68 72.89 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.597 0.635 . . . . 0.0 111.662 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.5 tp -75.7 -34.68 60.4 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.641 0.777 . . . . 0.0 112.837 -170.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.16 72.69 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.74 -43.86 95.22 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.399 1.08 . . . . 0.0 111.424 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -65.53 -41.75 92.74 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.46 -41.03 93.29 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.801 0.841 . . . . 0.0 112.303 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.9 m -61.72 -40.77 96.22 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.138 0.975 . . . . 0.0 111.808 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -68.14 -34.65 76.74 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.946 -1.096 . . . . 0.0 113.23 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.0 mt -59.08 -48.46 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.453 -0.779 . . . . 0.0 110.074 170.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -62.57 -40.3 96.42 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.221 1.008 . . . . 0.0 112.552 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -59.08 -48.69 80.67 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.345 1.058 . . . . 0.0 112.084 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.83 -42.61 94.8 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.611 0.765 . . . . 0.0 111.98 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -61.6 -41.81 97.98 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.694 -0.67 . . . . 0.0 112.441 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.02 96.73 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.709 0.686 . . . . 0.0 112.146 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.15 93.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.145 0.578 . . . . 0.0 112.44 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -62.61 -47.4 83.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.829 1.252 . . . . 0.0 111.161 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -64.25 -36.47 84.19 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.123 0.969 . . . . 0.0 113.241 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.07 78.03 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.587 0.755 . . . . 0.0 112.908 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 pp -78.56 -37.1 43.52 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.737 0.699 . . . . 0.0 112.404 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.89 -40.75 95.59 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.133 -0.98 . . . . 0.0 112.611 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -68.76 -24.18 64.41 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.26 -17.19 61.36 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.531 1.133 . . . . 0.0 113.739 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -92.32 3.35 55.59 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.483 1.513 . . . . 0.0 114.67 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -131.29 41.44 3.33 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 126.036 1.734 . . . . 0.0 114.266 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.203 1.401 . . . . 0.0 112.999 173.081 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.934 -0.466 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -59.49 154.87 44.91 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.202 3.268 . . . . 0.0 114.302 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.16 -13.22 0.96 Allowed Glycine 0 CA--C 1.537 1.427 0 N-CA-C 115.454 0.941 . . . . 0.0 115.454 176.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 77.8 p -73.7 -16.91 61.18 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -72.91 159.09 34.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.257 1.823 . . . . 0.0 113.14 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -65.98 123.36 19.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.725 0.81 . . . . 0.0 110.66 169.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -125.04 40.86 3.65 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.897 1.679 . . . . 0.0 110.989 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 59.22 40.29 21.7 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.105 1.762 . . . . 0.0 112.537 -166.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.23 151.1 96.25 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.325 1.45 . . . . 0.0 112.693 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.34 159.69 52.75 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 123.51 2.807 . . . . 0.0 112.803 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.2 tt -57.32 -32.87 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.169 0.988 . . . . 0.0 113.452 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.5 -25.14 67.34 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.642 1.177 . . . . 0.0 112.769 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -80.71 -59.35 2.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.536 0.734 . . . . 0.0 111.408 170.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.53 -32.8 74.6 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.713 -1.242 . . . . 0.0 113.593 -171.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.0 t -69.85 -23.46 63.29 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.443 1.097 . . . . 0.0 112.896 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.19 -36.26 19.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.501 1.121 . . . . 0.0 112.802 169.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.09 -39.12 88.73 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.336 -0.853 . . . . 0.0 112.628 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.95 -35.37 79.9 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.365 0.984 . . . . 0.0 112.458 174.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -72.68 -40.79 65.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.061 0.945 . . . . 0.0 111.153 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.77 -39.46 94.32 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.383 1.473 . . . . 0.0 112.479 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.51 -33.57 76.21 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.612 0.765 . . . . 0.0 112.467 171.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 31.9 mtm -81.7 10.32 6.33 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.804 1.242 . . . . 0.0 113.972 170.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.54 11.18 83.45 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 125.178 1.371 . . . . 0.0 116.133 171.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -70.82 153.17 42.98 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.318 1.559 . . . . 0.0 112.225 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -75.5 -9.75 58.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.256 1.422 . . . . 0.0 114.149 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -176.32 -167.4 35.0 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.225 1.393 . . . . 0.0 113.454 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 173.73 -173.61 45.89 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.569 1.081 . . . . 0.0 113.391 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 179.1 178.84 48.54 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.939 1.257 . . . . 0.0 112.562 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 58.7 p -66.53 139.46 57.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.223 1.009 . . . . 0.0 113.499 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.4 171.59 45.96 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.376 0.988 . . . . 0.0 112.819 164.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -74.59 170.52 53.78 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.176 0.893 . . . . 0.0 114.096 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -84.59 -7.11 84.93 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 124.684 1.135 . . . . 0.0 115.633 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 43.2 m -68.14 149.59 49.41 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.853 1.327 . . . . 0.0 112.16 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 20.7 mmt -57.35 -35.56 70.08 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.429 1.092 . . . . 0.0 113.426 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.03 -23.12 65.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -88.32 -47.59 8.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.722 1.209 . . . . 0.0 111.372 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 tt -61.35 -39.54 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.665 1.186 . . . . 0.0 112.282 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -61.93 -42.14 98.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.938 0.79 . . . . 0.0 112.336 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -63.83 -43.44 96.19 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.503 0.721 . . . . 0.0 112.073 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.39 -50.37 67.89 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.541 0.737 . . . . 0.0 111.751 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.0 tp -73.83 -27.97 61.37 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.566 0.746 . . . . 0.0 112.975 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.21 74.15 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.563 -0.71 . . . . 0.0 112.729 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -65.55 -43.01 91.21 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.051 1.341 . . . . 0.0 111.826 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 75.3 p -68.0 -38.02 82.13 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.352 0.661 . . . . 0.0 112.579 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.11 -42.19 96.96 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.941 0.897 . . . . 0.0 111.965 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 77.0 m -59.36 -37.32 77.6 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.563 0.745 . . . . 0.0 111.754 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -70.1 -29.24 66.15 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.094 -1.004 . . . . 0.0 113.302 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.38 -48.23 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.447 1.021 . . . . 0.0 109.749 171.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.05 -41.65 97.01 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.085 0.954 . . . . 0.0 111.967 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.87 86.97 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.61 1.564 . . . . 0.0 112.354 172.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -45.93 91.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.451 0.7 . . . . 0.0 111.765 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -61.16 -43.68 98.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.468 0.707 . . . . 0.0 112.058 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.62 -43.91 97.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.549 0.74 . . . . 0.0 112.382 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.1 88.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.598 0.759 . . . . 0.0 112.668 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -62.81 -42.69 99.82 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 111.225 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.29 -46.11 90.22 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.687 -1.258 . . . . 0.0 112.031 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -63.42 -31.09 72.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.246 1.018 . . . . 0.0 113.733 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.0 pp -85.81 -31.89 22.06 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 172.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.29 -25.63 67.72 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.258 1.39 . . . . 0.0 113.193 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -78.13 -5.45 51.65 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.861 -1.15 . . . . 0.0 113.929 171.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -122.3 -37.75 2.77 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.524 1.529 . . . . 0.0 114.138 -173.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -66.04 -13.55 60.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.548 1.539 . . . . 0.0 114.48 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -73.04 -7.94 53.48 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 127.085 2.154 . . . . 0.0 115.35 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 126.061 1.744 . . . . 0.0 113.409 176.187 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.483 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -73.21 -22.02 19.55 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 124.003 3.135 . . . . 0.0 114.191 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.76 175.4 53.55 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.061 1.315 . . . . 0.0 114.56 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -151.25 163.82 38.01 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.445 1.498 . . . . 0.0 111.569 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -65.52 143.1 57.87 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.198 0.999 . . . . 0.0 113.072 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.97 171.23 14.46 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.49 0.716 . . . . 0.0 111.623 162.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 64.68 144.54 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.193 2.197 . . . . 0.0 114.403 -170.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.39 22.21 3.67 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.704 1.602 . . . . 0.0 114.4 -172.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.31 153.29 90.07 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.525 1.53 . . . . 0.0 112.236 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.76 159.08 50.3 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.089 2.526 . . . . 0.0 113.931 -170.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 tp -60.29 -31.39 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.995 1.318 . . . . 0.0 113.965 -168.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -72.34 -29.74 64.09 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.322 -0.861 . . . . 0.0 113.054 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -72.12 -52.21 17.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.83 -1.169 . . . . 0.0 111.703 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.07 -31.53 72.46 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.417 -0.802 . . . . 0.0 112.503 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -62.6 -50.03 72.9 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.151 0.98 . . . . 0.0 111.819 169.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.07 72.27 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.724 -1.235 . . . . 0.0 112.545 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.33 -52.89 50.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.249 1.02 . . . . 0.0 111.782 173.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.88 -32.19 73.28 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.701 1.591 . . . . 0.0 112.772 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -64.17 -51.92 61.49 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.912 0.885 . . . . 0.0 111.351 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.93 -26.98 63.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.029 0.831 . . . . 0.0 113.143 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -68.5 -31.47 70.76 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.523 1.056 . . . . 0.0 112.486 170.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 73.4 mtm -78.72 -5.26 52.7 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 166.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.09 15.58 74.48 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.87 1.224 . . . . 0.0 114.563 -174.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -93.19 132.78 37.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.891 1.676 . . . . 0.0 112.325 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -83.59 -28.76 28.3 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.674 0.79 . . . . 0.0 112.307 168.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.19 -174.05 42.64 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.289 1.423 . . . . 0.0 114.654 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.69 -165.77 54.43 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.633 1.111 . . . . 0.0 114.6 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.05 30.0 66.05 Favored Glycine 0 CA--C 1.536 1.398 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 m -55.5 132.03 47.54 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.369 1.468 . . . . 0.0 113.487 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.4 -0.03 85.87 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.589 1.09 . . . . 0.0 115.67 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.96 -26.61 73.24 Favored Glycine 0 CA--C 1.537 1.432 0 CA-C-N 118.794 1.297 . . . . 0.0 114.935 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.24 19.08 65.89 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.348 0.975 . . . . 0.0 115.18 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -68.63 159.2 32.49 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.679 1.239 . . . . 0.0 112.324 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.1 tpt -61.85 -24.26 66.79 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.083 0.953 . . . . 0.0 112.789 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -82.36 -23.1 35.19 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.89 0.876 . . . . 0.0 113.134 172.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -74.08 -44.56 53.62 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.884 -1.135 . . . . 0.0 111.422 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 tt -60.64 -40.48 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.869 0.867 . . . . 0.0 112.073 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -55.97 -53.7 53.73 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.99 0.814 . . . . 0.0 111.52 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -64.76 -47.83 76.76 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.496 0.718 . . . . 0.0 112.179 -177.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 tp -68.24 -38.7 82.09 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.808 -0.557 . . . . 0.0 112.474 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.3 tp -73.45 -33.96 65.16 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.748 0.819 . . . . 0.0 112.3 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.6 88.39 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.39 -0.819 . . . . 0.0 112.893 172.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.05 -45.51 93.23 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.479 1.036 . . . . 0.0 111.854 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.1 t -58.0 -46.32 85.43 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 173.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.13 -42.1 98.91 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.145 -0.972 . . . . 0.0 112.916 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -61.8 -37.48 84.54 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.078 -1.014 . . . . 0.0 111.73 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.67 -35.13 79.42 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.229 -0.919 . . . . 0.0 113.158 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.6 mt -58.52 -50.83 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.781 0.833 . . . . 0.0 109.632 172.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -64.24 -38.47 91.16 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.386 1.074 . . . . 0.0 112.636 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -59.79 -44.46 93.94 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.428 1.091 . . . . 0.0 112.14 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.69 -50.04 64.16 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.067 0.947 . . . . 0.0 111.751 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.19 -38.07 89.72 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.47 96.79 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.379 0.672 . . . . 0.0 111.903 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.96 67.79 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.612 0.765 . . . . 0.0 112.18 175.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.61 -48.53 81.29 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.028 1.331 . . . . 0.0 111.674 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.88 -36.98 86.12 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.974 0.91 . . . . 0.0 113.325 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.31 -44.61 67.95 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 pp -74.98 -30.79 61.27 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -61.59 -57.52 11.73 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.618 1.099 . . . . 0.0 111.944 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -63.56 -23.72 67.51 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.16 -27.67 42.72 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -117.18 -3.46 11.5 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -170.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -73.73 -25.21 60.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.397 2.279 . . . . 0.0 114.033 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 . . . . . 0 C--O 1.255 1.348 0 C-N-CA 127.027 2.131 . . . . 0.0 112.786 175.247 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 CA-C-O 119.361 -0.688 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -60.64 150.03 84.22 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 124.372 3.381 . . . . 0.0 114.042 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.51 147.14 41.69 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.081 0.848 . . . . 0.0 112.659 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 24.9 t -118.29 143.45 46.58 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.212 1.405 . . . . 0.0 111.361 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -71.19 138.96 49.96 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.311 1.044 . . . . 0.0 112.406 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -75.59 139.84 42.31 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.535 0.734 . . . . 0.0 112.305 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.53 145.17 17.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.84 1.256 . . . . 0.0 112.047 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.07 19.32 2.03 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.106 2.162 . . . . 0.0 116.356 171.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.66 153.3 95.27 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.807 1.243 . . . . 0.0 112.177 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -69.04 162.73 40.5 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.203 2.602 . . . . 0.0 113.035 -175.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.4 tt -60.74 -30.79 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -62.71 -35.72 80.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.328 0.651 . . . . 0.0 112.057 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -74.72 -51.26 14.72 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.687 0.795 . . . . 0.0 111.939 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.27 -33.04 74.48 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.225 -0.922 . . . . 0.0 112.794 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.0 t -61.68 -46.6 89.04 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.669 0.788 . . . . 0.0 111.866 167.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.67 81.28 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.767 -1.208 . . . . 0.0 112.951 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.2 -50.39 66.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.007 0.923 . . . . 0.0 111.558 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.9 -30.46 70.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.195 1.362 . . . . 0.0 112.547 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -67.8 -45.87 73.55 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.23 1.012 . . . . 0.0 112.068 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -66.8 -33.17 75.03 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.751 0.82 . . . . 0.0 112.847 175.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -61.63 -40.57 95.34 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.201 0.91 . . . . 0.0 112.452 170.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 72.3 mtm -85.33 1.39 48.66 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.632 1.173 . . . . 0.0 114.16 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.85 31.32 67.31 Favored Glycine 0 CA--C 1.541 1.718 0 O-C-N 121.027 -1.045 . . . . 0.0 114.367 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -60.28 154.28 20.4 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.973 1.309 . . . . 0.0 112.991 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -74.72 -2.73 27.69 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.799 1.639 . . . . 0.0 113.93 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -164.2 -167.42 24.69 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.758 1.647 . . . . 0.0 112.742 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -162.39 170.72 38.07 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.515 1.055 . . . . 0.0 113.349 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.6 11.04 83.06 Favored Glycine 0 CA--C 1.539 1.535 0 N-CA-C 115.236 0.855 . . . . 0.0 115.236 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 33.0 t -67.41 131.68 46.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.524 1.162 . . . . 0.0 111.466 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.18 -179.57 50.84 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.158 1.361 . . . . 0.0 115.902 -172.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 179.38 167.57 36.98 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.889 1.709 . . . . 0.0 112.236 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -170.28 -17.07 0.02 OUTLIER Glycine 0 CA--C 1.536 1.345 0 N-CA-C 116.614 1.405 . . . . 0.0 116.614 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 31.2 t -78.55 158.65 28.48 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.463 1.632 . . . . 0.0 111.338 170.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -38.74 71.13 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.291 1.036 . . . . 0.0 112.623 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.07 -24.81 66.79 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -74.32 -52.73 11.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.543 0.737 . . . . 0.0 110.442 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.7 tt -63.83 -40.24 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.99 0.916 . . . . 0.0 112.085 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -56.83 -48.49 77.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.571 1.078 . . . . 0.0 111.626 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -67.36 -48.46 67.41 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.981 0.513 . . . . 0.0 111.743 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.47 -42.33 95.98 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.961 0.904 . . . . 0.0 112.742 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 29.0 tp -74.49 -31.75 62.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.622 1.169 . . . . 0.0 112.596 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.07 -32.46 69.13 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.468 -0.77 . . . . 0.0 112.823 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.94 -48.34 74.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.286 1.034 . . . . 0.0 112.342 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 69.1 p -64.12 -36.44 84.05 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.675 0.79 . . . . 0.0 112.739 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.3 -40.27 95.76 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.033 -1.042 . . . . 0.0 112.628 171.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 95.1 m -60.36 -37.56 81.09 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.281 -0.887 . . . . 0.0 111.961 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -68.44 -34.99 76.96 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.278 -0.889 . . . . 0.0 113.085 175.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.12 -52.17 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.558 1.072 . . . . 0.0 109.482 170.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -59.28 -39.52 83.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.321 0.648 . . . . 0.0 112.278 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -59.81 -52.76 64.06 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.217 1.007 . . . . 0.0 112.098 174.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.22 -35.12 66.26 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.478 0.711 . . . . 0.0 112.903 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -63.57 -44.0 95.36 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.924 0.784 . . . . 0.0 111.471 173.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.79 90.21 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.8 82.3 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.423 0.689 . . . . 0.0 112.389 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.1 -36.23 82.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.238 0.615 . . . . 0.0 111.96 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -65.07 -40.61 94.92 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.08 -1.012 . . . . 0.0 112.585 173.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.68 77.5 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.83 -26.53 49.53 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.62 -39.23 93.15 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.206 -0.934 . . . . 0.0 113.185 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -75.33 -22.6 57.5 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -74.78 -48.5 25.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.652 0.781 . . . . 0.0 111.73 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -89.53 42.08 1.07 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.467 1.907 . . . . 0.0 113.007 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -78.65 3.12 17.25 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -172.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 . . . . . 0 N--CA 1.484 1.231 0 C-N-CA 126.204 1.801 . . . . 0.0 114.477 -175.085 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -62.59 126.9 19.33 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.633 2.888 . . . . 0.0 110.756 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.69 -7.23 0.13 Allowed Glycine 0 CA--C 1.54 1.628 0 N-CA-C 116.247 1.259 . . . . 0.0 116.247 -174.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -72.88 -5.2 36.75 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.123 1.461 . . . . 0.0 114.657 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -63.89 152.26 40.26 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.311 1.845 . . . . 0.0 113.471 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -70.07 126.97 31.23 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.958 1.303 . . . . 0.0 111.733 172.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.11 133.19 10.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.032 1.333 . . . . 0.0 111.277 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.22 27.81 3.74 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.72 149.26 96.15 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 124.208 1.003 . . . . 0.0 112.502 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -66.2 154.84 72.59 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.329 2.686 . . . . 0.0 112.529 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.5 tt -61.26 -30.17 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -169.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -63.61 -28.62 70.05 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -76.13 -56.59 4.51 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.543 -0.723 . . . . 0.0 111.807 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.13 -34.19 75.89 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.401 -0.812 . . . . 0.0 112.926 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 m -71.83 -25.08 61.83 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.839 0.856 . . . . 0.0 113.242 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.13 -29.11 23.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.262 1.025 . . . . 0.0 112.8 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mp -61.48 -43.63 98.52 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.115 0.966 . . . . 0.0 112.188 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.06 -37.03 85.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.074 0.852 . . . . 0.0 112.788 176.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -72.86 -39.41 66.51 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.851 0.861 . . . . 0.0 112.666 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -76.85 -23.8 52.68 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.937 0.79 . . . . 0.0 112.981 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -68.94 -29.2 67.4 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 121.013 -1.055 . . . . 0.0 112.784 167.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.7 mtm -82.59 -10.52 58.93 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.025 1.33 . . . . 0.0 114.207 167.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.08 27.57 68.24 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.933 1.254 . . . . 0.0 114.873 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -70.34 -27.13 64.11 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -177.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 52.71 35.56 18.77 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.942 2.097 . . . . 0.0 114.663 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.83 -158.83 19.04 Favored Glycine 0 CA--C 1.533 1.164 0 O-C-N 120.913 -1.117 . . . . 0.0 113.667 -177.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.0 -168.08 22.1 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.954 1.74 . . . . 0.0 113.822 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.28 -163.94 54.87 Favored Glycine 0 CA--C 1.544 1.848 0 C-N-CA 124.625 1.107 . . . . 0.0 114.294 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.6 m -71.21 129.67 39.5 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 119.127 -2.396 . . . . 0.0 112.744 -0.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.36 -164.03 20.65 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.794 1.188 . . . . 0.0 114.948 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 168.43 135.77 1.94 Allowed Glycine 0 CA--C 1.534 1.227 0 C-N-CA 123.999 0.809 . . . . 0.0 113.005 173.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.26 -6.15 0.05 OUTLIER Glycine 0 CA--C 1.538 1.524 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 176.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.1 p -74.05 170.36 15.61 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.745 1.773 . . . . 0.0 112.843 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 9.0 tpt -65.42 -16.1 63.28 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -81.02 -43.62 19.31 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.917 0.887 . . . . 0.0 112.065 170.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -65.9 -38.55 89.02 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.849 0.86 . . . . 0.0 112.939 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 tt -59.92 -40.02 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.844 0.858 . . . . 0.0 112.138 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -64.84 -43.24 93.7 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.557 0.617 . . . . 0.0 111.458 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -64.99 -49.87 68.58 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.392 0.677 . . . . 0.0 112.097 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.67 -44.16 91.26 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.765 0.826 . . . . 0.0 111.939 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 tp -72.45 -34.4 67.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.21 83.02 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.499 0.719 . . . . 0.0 112.222 170.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -57.05 -45.27 83.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.537 1.135 . . . . 0.0 112.065 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 t -61.93 -42.48 99.15 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.536 0.734 . . . . 0.0 112.634 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.22 -42.51 98.72 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.399 -0.813 . . . . 0.0 112.959 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 95.4 m -58.17 -39.58 79.23 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 118.899 0.772 . . . . 0.0 113.033 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -68.62 -32.2 71.9 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.31 -48.56 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.921 0.889 . . . . 0.0 110.319 174.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -65.7 -37.67 87.1 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.6 1.16 . . . . 0.0 112.594 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.4 ttp85 -59.89 -46.99 87.59 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.195 0.998 . . . . 0.0 111.982 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.67 -43.99 87.62 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.39 0.676 . . . . 0.0 112.263 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -64.97 -37.71 88.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.642 0.655 . . . . 0.0 112.464 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.48 95.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.347 0.659 . . . . 0.0 111.596 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.78 94.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.61 0.764 . . . . 0.0 112.993 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -64.98 -44.87 87.88 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.196 0.998 . . . . 0.0 111.384 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -65.38 -35.02 79.68 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.726 -1.234 . . . . 0.0 112.709 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.1 78.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.258 1.023 . . . . 0.0 113.034 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 pp -72.77 -32.74 65.83 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.205 0.911 . . . . 0.0 112.208 175.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.58 -50.35 67.61 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.228 0.922 . . . . 0.0 112.12 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.93 -28.26 68.15 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.465 -0.772 . . . . 0.0 112.94 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.27 -19.0 62.4 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 175.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -113.01 0.23 14.96 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.754 1.622 . . . . 0.0 114.2 -177.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 53.6 tpt85 -72.58 -17.38 61.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.714 2.006 . . . . 0.0 115.038 -175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 127.044 2.138 . . . . 0.0 112.578 -175.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.3 157.01 63.65 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.994 3.129 . . . . 0.0 112.891 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.68 167.15 54.85 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.502 1.048 . . . . 0.0 114.36 175.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.8 t -149.28 -178.38 6.37 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.43 1.892 . . . . 0.0 110.757 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -56.11 108.8 0.5 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.393 1.477 . . . . 0.0 112.262 -175.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 53.36 24.64 3.99 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.436 1.894 . . . . 0.0 115.227 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -135.88 119.85 17.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.373 1.069 . . . . 0.0 111.616 -169.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.8 37.71 28.97 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.017 1.327 . . . . 0.0 113.032 -174.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pp -61.08 152.53 70.92 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 126.259 1.824 . . . . 0.0 112.492 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -62.49 158.13 42.73 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.658 2.905 . . . . 0.0 113.584 -173.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.3 tt -63.02 -32.2 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -172.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -70.54 -23.45 62.63 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.262 -0.899 . . . . 0.0 112.64 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -76.91 -50.35 13.5 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.273 -0.892 . . . . 0.0 111.732 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.89 -30.3 70.87 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.431 -0.793 . . . . 0.0 112.216 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.3 t -63.31 -42.86 99.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.979 1.311 . . . . 0.0 112.429 167.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.29 -33.51 76.15 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.321 -1.487 . . . . 0.0 113.413 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.96 -45.19 82.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.728 1.211 . . . . 0.0 112.157 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.08 -34.29 71.03 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.1 1.318 . . . . 0.0 112.439 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -64.9 -47.02 79.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.32 0.648 . . . . 0.0 112.634 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.42 -27.32 65.17 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -64.18 -36.92 85.62 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.958 0.799 . . . . 0.0 112.419 170.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 33.9 mtt -78.12 -5.04 50.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.803 1.241 . . . . 0.0 113.242 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 84.11 11.92 77.62 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.838 1.209 . . . . 0.0 114.946 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -70.35 152.78 43.74 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.02 1.41 . . . . 0.0 111.268 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -69.82 -16.26 63.24 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -166.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 177.58 -165.16 34.71 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.319 0.963 . . . . 0.0 114.744 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.41 170.57 47.98 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.837 1.208 . . . . 0.0 115.044 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -168.53 164.87 38.41 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 126.054 1.788 . . . . 0.0 111.827 176.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 46.7 t -59.46 127.8 33.89 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.157 0.583 . . . . 0.0 112.506 -173.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.21 -16.83 80.21 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.016 0.817 . . . . 0.0 114.626 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.66 168.69 51.57 Favored Glycine 0 CA--C 1.54 1.634 0 CA-C-N 118.242 1.021 . . . . 0.0 114.71 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -169.81 -16.99 0.02 OUTLIER Glycine 0 CA--C 1.54 1.633 0 O-C-N 119.351 -2.264 . . . . 0.0 116.026 -1.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 37.0 t -74.61 158.86 32.95 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.042 1.421 . . . . 0.0 111.024 166.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.44 -35.2 69.79 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.989 -1.069 . . . . 0.0 112.873 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -67.22 -24.23 65.81 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -77.1 -49.87 14.32 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.117 -0.99 . . . . 0.0 111.409 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 13.2 tt -64.63 -40.58 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.717 0.807 . . . . 0.0 112.021 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.29 -39.54 87.25 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.403 1.001 . . . . 0.0 111.798 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -74.24 -49.5 23.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.832 0.742 . . . . 0.0 112.349 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.99 -40.39 87.35 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.08 0.952 . . . . 0.0 113.124 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.53 -28.12 60.83 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.642 0.777 . . . . 0.0 112.59 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.27 -31.74 64.26 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 121.209 -0.932 . . . . 0.0 113.057 169.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -62.8 -49.62 74.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.079 1.352 . . . . 0.0 111.564 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 77.0 p -65.67 -37.39 86.38 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.678 0.791 . . . . 0.0 112.873 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.55 -39.68 95.03 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.135 0.88 . . . . 0.0 112.615 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 99.9 m -64.19 -39.96 95.1 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.636 -1.29 . . . . 0.0 111.632 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -66.6 -28.93 68.89 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.519 1.128 . . . . 0.0 112.495 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.62 -60.32 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 120.26 1.391 . . . . 0.0 109.559 164.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -57.15 -42.41 80.97 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.641 0.776 . . . . 0.0 112.671 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -68.32 -32.69 72.98 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.78 -39.72 56.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.086 0.955 . . . . 0.0 112.174 174.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -59.48 -43.5 93.26 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.587 0.63 . . . . 0.0 111.256 171.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.63 90.5 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.17 0.988 . . . . 0.0 112.696 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.71 98.45 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.364 0.983 . . . . 0.0 112.921 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.69 -40.44 97.12 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.28 1.032 . . . . 0.0 111.467 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -73.43 -30.6 63.32 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 121.16 -0.963 . . . . 0.0 113.351 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -72.3 -42.55 65.34 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.551 1.14 . . . . 0.0 113.14 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.11 -33.91 75.4 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.365 -0.834 . . . . 0.0 112.324 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.31 -44.63 87.27 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.591 0.756 . . . . 0.0 112.069 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -76.77 -26.67 54.78 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.58 74.38 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.429 -0.795 . . . . 0.0 113.001 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.4 -9.5 58.9 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -175.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -103.08 -2.5 27.37 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.939 1.696 . . . . 0.0 115.299 174.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 125.306 1.442 . . . . 0.0 113.774 -179.093 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.94 143.46 99.58 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.173 3.249 . . . . 0.0 113.686 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 178.67 22.91 0.03 OUTLIER Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.026 0.822 . . . . 0.0 115.093 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m -64.93 147.06 54.09 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.838 1.255 . . . . 0.0 113.756 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -69.33 153.84 42.97 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 124.762 1.225 . . . . 0.0 112.367 174.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.57 109.6 5.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.535 0.734 . . . . 0.0 110.359 172.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.97 140.52 17.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.681 1.192 . . . . 0.0 111.86 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.37 14.78 0.84 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 117.136 2.272 . . . . 0.0 117.136 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 9' ' ' LEU . 1.7 pp -67.95 153.06 95.85 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 124.76 1.224 . . . . 0.0 111.299 168.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -68.05 159.91 50.96 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.849 2.366 . . . . 0.0 113.198 -170.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 tt -65.31 -31.54 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -71.64 -26.4 62.54 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.418 -0.801 . . . . 0.0 112.528 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -71.99 -52.01 19.11 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.778 -1.202 . . . . 0.0 111.071 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.05 -33.02 74.86 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.016 0.826 . . . . 0.0 112.589 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -66.99 -42.43 85.06 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.74 0.816 . . . . 0.0 112.4 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.67 81.89 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.513 -1.367 . . . . 0.0 113.001 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.01 -51.71 60.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.886 0.875 . . . . 0.0 111.709 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.01 -34.05 76.72 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.324 1.42 . . . . 0.0 112.465 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -72.53 -39.62 67.39 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.565 -0.709 . . . . 0.0 112.202 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -69.1 -34.51 75.2 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.633 0.773 . . . . 0.0 112.801 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -63.05 -33.65 75.89 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.024 -1.047 . . . . 0.0 112.304 170.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.7 mtm -81.46 -0.02 39.81 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.101 1.361 . . . . 0.0 114.457 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.86 12.68 80.94 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 115.83 1.092 . . . . 0.0 115.83 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -67.02 146.11 54.69 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.352 1.576 . . . . 0.0 111.422 170.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 -79.6 -0.54 34.1 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.549 1.14 . . . . 0.0 114.071 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.4 -147.37 12.0 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.058 1.314 . . . . 0.0 113.102 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.02 14.36 77.34 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.345 0.974 . . . . 0.0 115.306 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.32 -1.72 51.78 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 118.586 1.193 . . . . 0.0 115.305 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.2 p -73.75 -14.01 61.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.321 1.448 . . . . 0.0 113.925 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.13 150.59 50.38 Favored Glycine 0 CA--C 1.538 1.482 0 O-C-N 121.36 -0.838 . . . . 0.0 113.369 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.21 171.5 18.62 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.064 1.316 . . . . 0.0 113.804 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.68 -42.0 2.2 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.237 1.399 . . . . 0.0 115.477 174.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -66.96 145.37 55.5 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.485 1.143 . . . . 0.0 111.209 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.28 -29.62 68.93 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 172.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -74.43 -33.56 62.99 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.116 -0.99 . . . . 0.0 112.382 173.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -73.73 -45.44 52.01 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.588 0.755 . . . . 0.0 112.354 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -62.33 -42.0 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.64 -0.662 . . . . 0.0 112.242 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -60.91 -44.89 96.54 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.784 0.72 . . . . 0.0 110.877 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -67.88 -51.2 50.85 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.06 -45.02 90.63 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.19 -0.944 . . . . 0.0 112.148 -176.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -73.49 -25.64 60.54 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.43 50.07 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 168.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -66.49 -45.68 78.8 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.761 -1.212 . . . . 0.0 111.776 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 p -64.56 -36.01 82.83 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.76 -41.79 98.15 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.352 0.978 . . . . 0.0 111.905 171.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.1 m -62.29 -37.3 85.01 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.346 -0.846 . . . . 0.0 111.956 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -66.64 -35.52 80.37 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.093 -1.004 . . . . 0.0 113.358 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.7 mt -60.18 -48.12 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.958 0.799 . . . . 0.0 109.988 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -60.81 -41.33 95.48 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.928 0.891 . . . . 0.0 112.209 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -63.51 -47.29 82.31 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.426 1.09 . . . . 0.0 112.311 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.18 -37.31 80.83 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.455 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.62 -46.12 91.47 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.324 0.965 . . . . 0.0 112.28 170.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.21 96.96 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.277 0.631 . . . . 0.0 112.674 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.07 94.09 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.8 0.84 . . . . 0.0 112.611 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -63.67 -42.98 97.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.543 0.737 . . . . 0.0 111.142 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -64.58 -32.61 74.33 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.664 -1.273 . . . . 0.0 113.226 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.45 -40.06 73.94 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.99 -25.66 40.21 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.01 -50.12 75.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.092 0.957 . . . . 0.0 111.896 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -76.04 -20.22 57.97 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.29 -45.38 60.29 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.443 -0.786 . . . . 0.0 111.667 172.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.18 57.79 2.06 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.572 1.549 . . . . 0.0 110.74 173.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -62.7 -29.75 70.89 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.07 1.348 . . . . 0.0 114.566 -174.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 127.797 2.439 . . . . 0.0 112.196 -170.891 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 111.977 -0.449 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -68.96 157.81 60.41 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 124.125 3.217 . . . . 0.0 112.973 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -73.16 176.9 43.51 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.492 1.044 . . . . 0.0 114.049 173.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 80.1 p -71.95 -21.32 61.61 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -77.79 143.09 38.21 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.638 1.575 . . . . 0.0 112.388 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -77.33 146.92 36.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.655 0.782 . . . . 0.0 111.334 169.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -136.71 -16.42 1.52 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.35 -0.38 49.54 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.538 1.135 . . . . 0.0 114.011 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.74 154.69 12.73 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.918 1.687 . . . . 0.0 112.808 171.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -64.83 158.13 52.61 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 122.969 2.446 . . . . 0.0 113.231 -174.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 15.2 tt -67.36 -27.91 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -167.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -69.6 -27.88 65.47 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.123 -0.986 . . . . 0.0 112.549 172.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -73.08 -49.62 27.51 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.099 0.96 . . . . 0.0 112.106 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.81 -31.99 72.98 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.082 -1.011 . . . . 0.0 112.766 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.1 t -64.68 -38.59 91.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.119 0.968 . . . . 0.0 112.631 169.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.99 83.64 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.706 -1.246 . . . . 0.0 112.482 171.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.13 -45.94 91.33 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.162 0.985 . . . . 0.0 112.872 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.12 -35.45 80.53 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.764 1.166 . . . . 0.0 111.997 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -68.43 -40.08 81.3 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.466 1.106 . . . . 0.0 111.273 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -67.79 -33.58 75.1 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.186 1.394 . . . . 0.0 112.958 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -64.06 -26.66 68.65 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.82 -1.175 . . . . 0.0 112.788 169.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 59.9 mtm -94.56 15.32 18.26 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.928 1.691 . . . . 0.0 113.657 170.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.42 4.99 90.31 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 126.088 1.804 . . . . 0.0 116.662 170.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -80.01 166.8 21.21 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 118.992 1.396 . . . . 0.0 112.56 177.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -76.02 3.21 10.81 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.534 1.534 . . . . 0.0 114.502 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.96 178.67 43.33 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.006 1.289 . . . . 0.0 113.955 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.26 159.74 51.86 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.574 1.083 . . . . 0.0 114.331 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -160.76 -0.95 0.07 OUTLIER Glycine 0 CA--C 1.538 1.508 0 N-CA-C 116.461 1.344 . . . . 0.0 116.461 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 33.7 t -157.95 146.08 18.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.858 1.329 . . . . 0.0 111.224 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 62.97 -149.39 49.66 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.321 0.963 . . . . 0.0 113.692 -176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 91.13 34.05 7.81 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.767 1.175 . . . . 0.0 114.194 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.12 -11.44 0.05 OUTLIER Glycine 0 CA--C 1.538 1.53 0 N-CA-C 116.546 1.378 . . . . 0.0 116.546 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 64.6 m -77.05 160.75 28.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.447 1.624 . . . . 0.0 112.102 173.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 10.0 tpt -64.81 -19.47 65.86 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.072 0.949 . . . . 0.0 113.549 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -78.52 -34.92 46.97 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.542 1.137 . . . . 0.0 112.698 168.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -70.44 -38.48 74.54 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.281 -0.887 . . . . 0.0 112.538 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 16.7 tt -60.11 -41.42 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 123.984 0.914 . . . . 0.0 111.827 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -61.31 -46.11 91.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.912 0.778 . . . . 0.0 111.15 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -65.06 -52.32 56.44 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.52 0.728 . . . . 0.0 112.67 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.73 -45.66 85.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.809 0.844 . . . . 0.0 112.06 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.4 tp -70.61 -32.92 70.44 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.113 0.565 . . . . 0.0 112.213 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.39 75.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.747 0.819 . . . . 0.0 113.05 169.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -65.49 -44.06 88.24 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.179 0.9 . . . . 0.0 111.687 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 66.0 m -62.22 -42.41 99.28 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 172.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.17 -42.69 95.52 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.763 0.825 . . . . 0.0 112.138 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 97.5 m -60.83 -40.77 94.03 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.417 -0.802 . . . . 0.0 111.85 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -69.49 -35.91 76.01 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.472 -0.768 . . . . 0.0 113.04 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.55 -51.68 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.295 0.952 . . . . 0.0 110.078 170.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -60.94 -40.38 93.04 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.85 0.86 . . . . 0.0 112.436 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 45.9 ttm180 -60.31 -47.72 84.83 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.564 1.146 . . . . 0.0 112.328 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.9 -39.66 79.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -61.1 -43.59 98.65 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.823 0.738 . . . . 0.0 111.999 173.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.94 99.18 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.722 0.809 . . . . 0.0 112.402 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.26 89.09 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.077 0.551 . . . . 0.0 112.462 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -62.07 -46.1 90.61 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.676 1.19 . . . . 0.0 111.067 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.32 -40.59 96.2 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.897 -1.127 . . . . 0.0 112.615 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.41 89.91 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.949 0.899 . . . . 0.0 113.14 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.5 pp -77.88 -33.54 52.01 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.944 0.793 . . . . 0.0 112.85 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.26 -39.48 83.0 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.666 1.121 . . . . 0.0 113.342 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -75.54 -16.94 60.21 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -95.09 -44.5 7.63 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.697 1.199 . . . . 0.0 113.428 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -78.26 -9.97 59.45 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.337 1.855 . . . . 0.0 114.73 -165.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -7.42 56.87 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.666 1.987 . . . . 0.0 115.398 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.718 1.607 . . . . 0.0 113.106 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.93 161.22 45.03 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.95 3.1 . . . . 0.0 113.174 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.21 -16.58 0.24 Allowed Glycine 0 CA--C 1.535 1.338 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.2 p -153.39 165.47 35.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.328 1.451 . . . . 0.0 111.742 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -130.08 149.05 51.97 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.141 1.376 . . . . 0.0 112.156 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -77.43 155.95 31.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.38 1.072 . . . . 0.0 112.738 171.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.82 156.81 42.01 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.771 1.629 . . . . 0.0 110.867 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.59 16.17 3.23 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.922 2.089 . . . . 0.0 115.793 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 161.1 40.14 Favored Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 126.032 1.733 . . . . 0.0 111.96 165.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.02 160.29 34.64 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.523 2.815 . . . . 0.0 113.959 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.1 -34.46 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.858 1.263 . . . . 0.0 113.597 -167.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -69.35 -30.3 68.29 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.471 0.708 . . . . 0.0 112.738 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -70.2 -56.2 7.4 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.159 0.89 . . . . 0.0 111.721 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.55 -32.66 74.37 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.725 -1.234 . . . . 0.0 113.033 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -67.89 -41.29 82.96 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.396 0.678 . . . . 0.0 112.542 171.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.0 86.17 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.35 -1.469 . . . . 0.0 112.428 173.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -63.32 -51.73 64.81 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.103 0.961 . . . . 0.0 111.593 175.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.26 -36.84 85.41 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.884 1.22 . . . . 0.0 112.255 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -67.56 -46.26 73.22 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 118.519 -0.753 . . . . 0.0 111.74 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.56 -25.39 60.36 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.539 1.063 . . . . 0.0 113.323 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -65.48 -20.35 66.32 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 121.197 -0.939 . . . . 0.0 113.346 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 mtm -100.52 8.52 43.45 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.185 1.794 . . . . 0.0 113.544 168.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.93 0.54 75.91 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.594 1.569 . . . . 0.0 115.626 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -84.24 51.12 2.0 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.036 1.735 . . . . 0.0 112.155 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -63.82 -14.33 52.07 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.189 1.396 . . . . 0.0 113.72 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.32 -9.42 60.95 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.597 1.094 . . . . 0.0 114.917 170.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.23 -147.43 37.67 Favored Glycine 0 CA--C 1.534 1.277 0 CA-C-N 118.665 1.233 . . . . 0.0 114.21 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.54 175.51 43.48 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 124.961 1.267 . . . . 0.0 113.85 -171.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 m 55.71 29.61 14.08 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.69 166.91 38.59 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.413 1.006 . . . . 0.0 113.972 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.14 164.32 47.29 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.743 1.163 . . . . 0.0 114.88 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.34 -115.59 0.59 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 123.71 0.672 . . . . 0.0 112.878 -173.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -66.62 170.46 6.28 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.929 1.291 . . . . 0.0 112.069 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.3 mmt -56.78 -35.59 68.88 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.375 -1.453 . . . . 0.0 114.1 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -65.34 -35.09 79.92 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.974 -1.079 . . . . 0.0 112.645 172.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -72.9 -41.85 64.2 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.696 1.198 . . . . 0.0 112.277 -176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.12 -41.27 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.741 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -58.49 -53.32 59.67 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.819 1.191 . . . . 0.0 112.519 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.96 -35.79 82.3 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.76 -40.07 63.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.314 1.046 . . . . 0.0 112.29 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.6 tp -74.82 -26.98 60.09 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.268 1.027 . . . . 0.0 113.009 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.14 -33.25 73.15 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.343 -0.848 . . . . 0.0 112.817 167.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -61.92 -51.07 69.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.887 1.275 . . . . 0.0 111.919 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.6 p -66.11 -37.05 84.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.03 0.932 . . . . 0.0 113.054 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.57 -40.51 87.56 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.289 -0.882 . . . . 0.0 111.726 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.8 m -62.07 -39.34 92.11 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.434 -0.791 . . . . 0.0 111.842 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -68.15 -36.14 79.2 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.774 -1.204 . . . . 0.0 113.199 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.91 -45.59 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.319 0.648 . . . . 0.0 110.516 171.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -65.17 -40.78 94.75 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.867 0.867 . . . . 0.0 112.919 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -57.56 -47.69 81.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.823 0.849 . . . . 0.0 112.043 172.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.76 -46.96 87.35 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.682 0.793 . . . . 0.0 112.183 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -67.52 -34.56 77.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.455 0.702 . . . . 0.0 112.638 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.1 92.05 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.073 0.851 . . . . 0.0 112.042 171.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.79 91.32 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.009 0.924 . . . . 0.0 112.702 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.45 -43.09 91.5 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.663 1.185 . . . . 0.0 111.222 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -64.24 -38.66 91.82 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.921 -1.112 . . . . 0.0 112.623 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.02 -32.79 74.48 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.114 0.966 . . . . 0.0 113.598 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.499 HD11 HD11 ' B' ' 158' ' ' LEU . 1.4 pp -87.86 -36.53 17.15 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.53 0.732 . . . . 0.0 112.639 174.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.08 -33.98 75.43 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.752 1.615 . . . . 0.0 113.097 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -69.24 -16.99 63.72 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 173.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.1 -38.92 9.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.148 1.779 . . . . 0.0 112.9 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -71.87 -16.19 62.13 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.551 1.54 . . . . 0.0 114.729 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -81.81 11.94 4.45 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.071 1.748 . . . . 0.0 115.616 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.227 1.811 . . . . 0.0 113.408 177.853 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.375 0 N-CA-C 111.738 -0.545 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -65.65 -20.85 59.67 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.232 3.288 . . . . 0.0 115.733 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.23 -24.96 4.47 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.447 1.499 . . . . 0.0 114.655 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 30.2 m 52.45 41.24 30.75 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.137 1.775 . . . . 0.0 114.71 169.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -63.2 147.23 51.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.95 1.3 . . . . 0.0 113.825 -172.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -77.94 55.0 1.37 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.779 1.632 . . . . 0.0 112.527 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.45 -24.54 14.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.905 1.282 . . . . 0.0 114.231 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -90.48 1.85 56.27 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.0 156.34 13.53 Favored Pre-proline 0 CA--C 1.557 1.241 0 C-N-CA 125.062 1.345 . . . . 0.0 112.533 168.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -62.06 155.81 53.55 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.206 2.604 . . . . 0.0 112.791 -176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 14.8 tt -57.15 -32.64 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -169.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.53 -34.65 71.22 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.207 1.003 . . . . 0.0 112.859 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -77.93 -47.75 17.91 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.702 0.801 . . . . 0.0 112.324 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.59 -30.28 68.99 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.653 1.115 . . . . 0.0 112.356 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.5 t -64.77 -46.58 81.53 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.958 0.903 . . . . 0.0 111.698 168.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.42 87.09 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.099 -1.001 . . . . 0.0 111.804 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.1 -48.39 73.86 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.16 0.984 . . . . 0.0 112.283 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.1 -33.96 76.97 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.146 1.339 . . . . 0.0 112.261 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -73.49 -35.81 65.7 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.655 -0.653 . . . . 0.0 112.577 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -64.66 -38.65 91.72 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.194 1.398 . . . . 0.0 112.183 172.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.96 -35.54 77.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.729 0.812 . . . . 0.0 112.596 171.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 44.2 mtt -79.52 -7.38 58.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.823 1.249 . . . . 0.0 113.91 174.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.2 9.95 58.85 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.456 1.503 . . . . 0.0 116.041 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -69.6 159.1 34.02 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.266 1.533 . . . . 0.0 112.126 169.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -73.62 -13.65 61.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.44 -161.56 32.37 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.174 0.892 . . . . 0.0 113.718 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -160.55 -167.47 21.11 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.368 1.461 . . . . 0.0 113.727 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -170.02 -164.75 26.27 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.06 1.314 . . . . 0.0 112.645 -176.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 41.4 t -56.77 135.33 55.44 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.019 0.909 . . . . 0.0 113.166 -174.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -76.66 -7.57 85.85 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.303 0.954 . . . . 0.0 115.334 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.49 159.14 7.68 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.102 1.334 . . . . 0.0 115.243 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.98 -24.55 9.69 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 124.318 0.961 . . . . 0.0 115.446 -176.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.4 m -74.36 151.88 39.67 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 118.56 1.18 . . . . 0.0 112.182 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -37.2 75.87 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.498 0.719 . . . . 0.0 112.83 -176.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -66.54 -27.86 68.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.335 1.054 . . . . 0.0 112.932 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -74.5 -49.59 21.53 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.193 -0.942 . . . . 0.0 110.837 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 13.5 tt -67.01 -40.07 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.682 0.793 . . . . 0.0 112.05 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -57.3 -49.81 74.93 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.291 0.95 . . . . 0.0 112.069 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.45 -46.29 80.44 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 38.3 tp -71.62 -38.71 70.76 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.693 -0.629 . . . . 0.0 112.353 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 22.3 tp -73.28 -31.5 64.1 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.608 0.763 . . . . 0.0 112.27 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.07 79.3 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.157 -0.965 . . . . 0.0 112.677 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -61.77 -47.2 86.24 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.395 0.998 . . . . 0.0 111.811 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 94.3 p -64.88 -40.49 95.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.93 -40.9 97.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.121 -0.987 . . . . 0.0 112.005 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 99.2 m -60.93 -39.19 88.51 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.331 -0.855 . . . . 0.0 111.444 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.89 -33.24 74.34 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.154 -0.966 . . . . 0.0 112.965 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.38 -49.92 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 121.0 -1.063 . . . . 0.0 110.55 170.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.21 -46.61 75.92 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.4 1.08 . . . . 0.0 111.355 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.63 -47.26 87.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.491 1.516 . . . . 0.0 111.749 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.75 -41.03 72.33 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.511 0.725 . . . . 0.0 112.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -61.9 -41.0 97.38 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.099 0.863 . . . . 0.0 111.896 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.41 83.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.58 0.752 . . . . 0.0 112.404 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.69 88.99 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.816 0.846 . . . . 0.0 112.431 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.05 -40.95 91.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.672 1.189 . . . . 0.0 111.466 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -65.88 -48.9 69.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.171 0.588 . . . . 0.0 112.246 174.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.49 89.63 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 158' ' ' LEU . . . . . 0.499 HD11 HD11 ' A' ' 58' ' ' LEU . 4.0 pp -68.94 -24.97 64.34 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.84 -39.87 66.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.199 0.909 . . . . 0.0 111.92 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -70.81 -37.03 73.21 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.811 -0.556 . . . . 0.0 112.284 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.04 -20.94 60.49 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.49 -7.12 57.06 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 176.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -133.21 -15.7 2.51 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.943 2.201 . . . . 0.0 116.943 -174.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 125.858 1.663 . . . . 0.0 112.776 172.356 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 CA-C-O 117.971 -1.461 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -60.01 -28.15 86.46 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.868 3.045 . . . . 0.0 115.394 -173.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.46 -3.04 85.89 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 124.865 1.221 . . . . 0.0 115.431 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t 65.24 153.16 0.06 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.988 2.115 . . . . 0.0 114.244 -170.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -82.56 163.33 21.56 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.115 1.366 . . . . 0.0 113.333 -173.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -71.77 158.51 35.98 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.302 1.041 . . . . 0.0 111.203 167.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -140.39 59.87 1.55 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.77 1.228 . . . . 0.0 111.589 -174.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.91 31.89 18.69 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.897 1.679 . . . . 0.0 114.951 -177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.66 145.86 82.06 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.41 1.084 . . . . 0.0 111.777 171.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.32 166.77 29.04 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.739 2.959 . . . . 0.0 112.26 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.29 -33.53 37.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.0 -31.78 72.19 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.343 1.057 . . . . 0.0 112.901 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -76.27 -53.7 7.84 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.878 0.871 . . . . 0.0 111.949 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.3 -28.83 69.0 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.149 -0.969 . . . . 0.0 113.139 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -69.33 -29.91 67.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.987 0.915 . . . . 0.0 112.553 172.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.71 -36.76 57.0 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.935 -1.103 . . . . 0.0 112.123 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.29 -48.09 79.57 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.448 1.099 . . . . 0.0 111.75 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.4 -38.34 89.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.382 0.992 . . . . 0.0 111.927 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -73.38 -40.66 64.16 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -69.85 -29.28 66.48 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.867 0.758 . . . . 0.0 112.608 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -67.19 -26.49 66.65 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.902 -1.123 . . . . 0.0 113.231 172.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.2 mtt -88.95 -5.02 58.27 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.159 1.384 . . . . 0.0 113.62 173.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.57 19.31 79.01 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.428 1.013 . . . . 0.0 114.406 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -66.29 138.92 57.98 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.402 1.481 . . . . 0.0 111.199 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.07 -29.45 68.41 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.094 -1.004 . . . . 0.0 112.675 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.15 164.42 42.27 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.178 0.894 . . . . 0.0 113.743 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.63 147.87 11.38 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.486 1.041 . . . . 0.0 112.965 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.76 -169.45 45.08 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.071 0.843 . . . . 0.0 114.224 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.4 t 55.35 29.26 12.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.209 1.803 . . . . 0.0 114.668 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.87 173.06 55.36 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.919 1.247 . . . . 0.0 114.548 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.29 -154.81 50.96 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.516 1.055 . . . . 0.0 114.134 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.83 -118.72 5.38 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.648 1.118 . . . . 0.0 112.364 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -65.89 158.54 27.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.33 1.052 . . . . 0.0 113.185 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.1 tpt -65.28 -19.32 65.91 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -77.22 -27.53 53.44 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 168.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -80.77 -39.24 27.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.046 0.938 . . . . 0.0 111.836 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 tt -60.16 -38.88 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.446 1.098 . . . . 0.0 112.133 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -58.63 -50.45 73.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.22 0.918 . . . . 0.0 111.693 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -65.44 -45.4 83.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.396 0.678 . . . . 0.0 112.13 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 tp -73.86 -31.92 63.39 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -76.28 -34.98 59.11 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.167 -0.958 . . . . 0.0 111.781 172.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.66 -32.02 73.06 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 171.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -57.66 -47.6 81.82 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.24 1.816 . . . . 0.0 111.228 173.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -66.77 -43.24 84.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 171.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.88 -37.53 82.48 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.191 0.905 . . . . 0.0 112.375 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -60.97 -40.43 93.35 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.258 -0.901 . . . . 0.0 111.763 174.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -71.96 -34.43 68.98 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.409 -0.807 . . . . 0.0 112.865 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.14 -50.31 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.582 0.753 . . . . 0.0 110.13 170.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -61.62 -41.95 98.2 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.813 0.845 . . . . 0.0 112.44 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -56.97 -50.04 73.88 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.507 1.123 . . . . 0.0 111.645 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.79 -47.84 79.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.637 0.775 . . . . 0.0 112.309 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -63.01 -42.2 99.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.828 0.851 . . . . 0.0 112.433 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.49 93.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.52 0.728 . . . . 0.0 112.332 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.78 82.98 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.63 -43.47 96.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.732 0.813 . . . . 0.0 111.541 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -63.92 -39.27 93.79 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.651 0.781 . . . . 0.0 113.048 176.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.81 77.39 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.941 0.896 . . . . 0.0 113.303 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.46 HD11 HD11 ' B' ' 158' ' ' LEU . 3.9 pp -77.9 -35.38 50.77 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.521 0.729 . . . . 0.0 112.867 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.49 -43.13 91.12 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.667 1.121 . . . . 0.0 112.599 -173.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.01 -22.78 65.88 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.06 -45.43 12.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.583 1.153 . . . . 0.0 112.616 176.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -86.25 46.73 1.37 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.16 1.784 . . . . 0.0 113.866 -171.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -139.9 20.91 2.48 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 . . . . . 0 C--O 1.255 1.375 0 C-N-CA 124.603 1.161 . . . . 0.0 113.026 170.64 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 CA-C-O 119.533 -0.593 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -60.39 154.82 50.52 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 124.286 3.324 . . . . 0.0 114.14 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -76.93 173.08 54.95 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.649 1.119 . . . . 0.0 114.102 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 58.3 m -68.98 149.22 49.06 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.289 1.036 . . . . 0.0 113.003 175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -72.69 139.6 47.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.005 0.922 . . . . 0.0 113.38 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -81.53 42.27 0.67 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.508 1.523 . . . . 0.0 113.416 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -131.94 -19.14 2.61 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.279 1.432 . . . . 0.0 114.662 -176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.85 -21.45 40.74 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.304 1.042 . . . . 0.0 113.787 177.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 pp -56.85 150.4 38.12 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 125.181 1.392 . . . . 0.0 111.553 162.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.52 155.61 69.4 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 122.778 2.319 . . . . 0.0 112.069 -174.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 tt -59.95 -30.04 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -59.99 -30.08 68.89 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.581 0.752 . . . . 0.0 112.768 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -78.9 -50.99 10.3 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.417 -0.802 . . . . 0.0 112.558 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.7 -33.35 75.67 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.946 1.248 . . . . 0.0 112.644 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t -62.92 -37.45 87.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.529 1.132 . . . . 0.0 112.812 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.3 -38.67 65.79 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.202 -0.937 . . . . 0.0 112.036 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.17 -45.2 92.92 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.297 1.039 . . . . 0.0 112.548 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.11 -37.01 85.5 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.977 1.262 . . . . 0.0 112.002 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -70.45 -37.34 74.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.004 0.922 . . . . 0.0 113.049 174.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -65.66 -39.06 90.95 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.733 1.213 . . . . 0.0 112.445 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.8 -37.32 86.95 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.615 -0.678 . . . . 0.0 112.423 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 40.8 mtt -71.54 -17.07 62.34 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.161 0.984 . . . . 0.0 113.56 172.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.53 20.05 79.78 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.624 1.106 . . . . 0.0 114.162 -172.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -95.39 125.6 40.12 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.603 1.561 . . . . 0.0 112.391 -173.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -83.74 -10.66 57.97 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.694 1.198 . . . . 0.0 113.875 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.76 -169.81 24.12 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.333 1.444 . . . . 0.0 115.436 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.15 -157.73 28.68 Favored Glycine 0 N--CA 1.471 1.013 0 C-N-CA 124.734 1.159 . . . . 0.0 113.375 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -161.46 175.02 38.08 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.174 1.368 . . . . 0.0 112.373 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 33.4 t -65.2 128.31 35.27 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 122.133 -0.628 . . . . 0.0 111.795 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -75.57 142.63 29.25 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.425 1.012 . . . . 0.0 113.32 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 173.69 169.69 36.27 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 123.939 0.78 . . . . 0.0 113.954 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.16 0.6 57.33 Favored Glycine 0 CA--C 1.542 1.728 0 C-N-CA 125.561 1.553 . . . . 0.0 115.204 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 67.8 m -67.6 152.66 45.26 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 118.526 1.163 . . . . 0.0 111.598 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -33.22 70.31 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -69.25 -40.23 77.99 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.932 -1.105 . . . . 0.0 112.501 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.65 -42.15 91.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.136 0.974 . . . . 0.0 111.464 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.69 -40.52 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 123.797 0.839 . . . . 0.0 112.12 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.15 -40.62 90.5 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.017 0.826 . . . . 0.0 111.868 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.54 -51.13 69.84 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.872 0.76 . . . . 0.0 112.282 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.65 -42.85 90.92 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.417 0.687 . . . . 0.0 111.778 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.5 tp -73.38 -34.53 65.6 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.57 95.73 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.853 0.861 . . . . 0.0 112.054 169.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -58.94 -46.83 87.04 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.731 1.212 . . . . 0.0 111.723 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 7.8 t -64.31 -44.29 92.05 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.432 0.693 . . . . 0.0 112.745 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.58 -41.92 98.11 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.909 -1.119 . . . . 0.0 112.606 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 67.1 m -58.64 -40.04 82.27 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.501 -0.749 . . . . 0.0 112.178 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -68.89 -31.24 70.03 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.167 -0.958 . . . . 0.0 113.474 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.28 -49.99 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.151 -0.968 . . . . 0.0 109.768 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -62.99 -40.08 96.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.087 0.955 . . . . 0.0 112.073 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -61.75 -46.66 88.63 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.774 1.23 . . . . 0.0 111.607 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.78 -43.88 82.8 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.649 0.78 . . . . 0.0 112.155 176.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -59.03 -44.58 91.76 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.953 0.797 . . . . 0.0 112.552 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.34 -45.54 93.98 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.616 0.766 . . . . 0.0 112.354 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.32 88.14 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.273 0.629 . . . . 0.0 112.666 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -65.46 -43.83 89.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.599 0.76 . . . . 0.0 111.352 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -62.7 -39.84 95.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.066 -1.021 . . . . 0.0 112.371 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.75 73.75 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.605 -0.684 . . . . 0.0 112.543 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 158' ' ' LEU . . . . . 0.46 HD11 HD11 ' A' ' 58' ' ' LEU . 2.1 pp -70.37 -32.37 70.02 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.709 -0.619 . . . . 0.0 112.405 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.61 -39.52 91.54 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.356 -0.84 . . . . 0.0 111.346 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -68.78 -39.55 80.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.36 1.064 . . . . 0.0 111.842 171.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.14 71.04 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.929 -1.107 . . . . 0.0 113.484 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 9.3 mmt-85 -74.69 -9.21 58.34 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -119.31 -8.06 10.14 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.435 1.494 . . . . 0.0 113.476 -179.13 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.306 0 CA-C-O 119.794 -0.448 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -67.8 156.06 67.45 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.926 3.084 . . . . 0.0 113.12 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.65 145.62 8.08 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.807 1.194 . . . . 0.0 112.957 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.0 m -77.29 -14.42 59.75 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -173.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -142.39 155.92 45.17 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.132 1.373 . . . . 0.0 112.148 -173.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -136.93 11.4 3.1 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.01 -19.38 63.32 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.178 1.391 . . . . 0.0 114.516 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.07 11.06 24.31 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.379 1.472 . . . . 0.0 114.799 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -60.72 150.93 74.17 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 123.649 0.78 . . . . 0.0 110.743 170.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -61.75 146.24 96.77 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.924 2.416 . . . . 0.0 113.135 -170.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.7 tt -64.55 -26.18 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -168.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.24 -26.3 66.32 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.879 1.271 . . . . 0.0 113.245 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -83.07 -56.24 3.91 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.148 0.979 . . . . 0.0 112.11 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.69 -33.99 74.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.944 1.247 . . . . 0.0 112.578 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.5 m -73.53 -20.85 60.54 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.16 0.984 . . . . 0.0 113.419 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.56 -37.08 32.08 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.202 0.91 . . . . 0.0 111.658 166.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.68 -41.49 99.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.034 0.834 . . . . 0.0 112.153 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.92 -36.54 84.3 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.798 1.181 . . . . 0.0 112.719 174.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -64.66 -48.67 73.91 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.877 0.871 . . . . 0.0 111.036 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -60.18 -42.38 94.87 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.369 1.468 . . . . 0.0 113.17 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.57 -32.65 74.35 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.142 -0.973 . . . . 0.0 112.654 174.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.0 mtm -85.79 4.43 36.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.194 1.398 . . . . 0.0 113.85 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.71 8.73 87.58 Favored Glycine 0 CA--C 1.541 1.712 0 N-CA-C 115.762 1.065 . . . . 0.0 115.762 176.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -78.6 125.62 29.62 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.085 1.354 . . . . 0.0 110.311 170.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -71.42 -12.64 61.51 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.72 164.55 38.58 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.621 1.105 . . . . 0.0 114.736 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.05 -168.17 19.99 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.165 1.364 . . . . 0.0 112.667 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.46 -118.14 9.68 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 t 58.87 -150.48 0.44 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.314 1.045 . . . . 0.0 112.065 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.64 33.48 34.26 Favored Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.005 -1.06 . . . . 0.0 115.367 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.49 146.1 49.7 Favored Glycine 0 CA--C 1.535 1.327 0 CA-C-N 118.103 0.951 . . . . 0.0 113.211 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.1 -10.88 83.25 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.205 0.907 . . . . 0.0 115.223 -175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -68.68 148.01 51.04 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.682 1.241 . . . . 0.0 112.096 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mmt -55.35 -34.9 64.67 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.575 1.15 . . . . 0.0 113.994 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -71.0 -32.54 69.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.784 0.834 . . . . 0.0 113.044 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -76.05 -43.31 44.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.15 0.98 . . . . 0.0 111.429 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -69.6 -40.15 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.276 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.31 -43.11 88.0 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.4 1.0 . . . . 0.0 111.959 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -65.76 -53.49 39.8 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.838 0.745 . . . . 0.0 112.126 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.12 -46.27 88.1 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.502 0.592 . . . . 0.0 111.927 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -74.68 -23.41 58.62 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.922 0.889 . . . . 0.0 113.11 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.03 -39.44 41.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.833 0.742 . . . . 0.0 112.924 167.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -59.74 -46.97 87.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.421 1.088 . . . . 0.0 111.362 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.4 p -63.37 -45.14 92.5 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.99 -39.55 82.16 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.112 0.965 . . . . 0.0 112.668 176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.0 m -61.13 -38.72 87.4 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.665 0.786 . . . . 0.0 111.922 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.96 -34.38 75.23 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.22 -48.38 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.822 0.737 . . . . 0.0 109.914 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.79 -37.89 89.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.257 1.023 . . . . 0.0 113.062 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -60.76 -43.05 98.49 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.667 1.187 . . . . 0.0 112.959 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.6 -43.45 76.44 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.791 0.723 . . . . 0.0 111.912 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.08 -32.29 73.36 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.05 86.14 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.128 0.877 . . . . 0.0 112.685 175.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.72 -43.56 58.84 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.859 0.863 . . . . 0.0 112.449 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -65.56 -43.91 88.38 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.723 0.809 . . . . 0.0 112.315 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.17 -33.17 75.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.154 0.981 . . . . 0.0 112.629 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.86 -47.54 52.22 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.7 0.8 . . . . 0.0 112.68 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.32 -32.59 70.41 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.095 0.861 . . . . 0.0 113.046 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.93 -38.21 90.13 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.714 0.806 . . . . 0.0 112.511 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -88.56 -17.4 30.29 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.93 -43.37 30.12 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.95 0.9 . . . . 0.0 113.045 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -66.68 -15.23 63.35 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -171.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -83.53 -5.57 59.21 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 . . . . . 0 C--O 1.253 1.252 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -171.934 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.768 -0.533 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -61.43 153.04 68.87 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.801 3.001 . . . . 0.0 114.036 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -81.35 -172.64 46.89 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.6 1.095 . . . . 0.0 113.912 174.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 56.6 m -92.42 140.77 29.24 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.237 1.015 . . . . 0.0 111.009 166.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -137.17 156.32 48.48 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.134 1.374 . . . . 0.0 111.513 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -80.12 58.38 2.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.821 1.248 . . . . 0.0 112.472 -174.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.86 -22.74 14.28 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 -170.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.76 -17.6 50.42 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -171.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.28 154.71 30.36 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 125.118 1.367 . . . . 0.0 111.438 160.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.29 150.24 88.67 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.921 2.414 . . . . 0.0 112.668 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 17.6 tt -61.1 -28.18 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.028 0.931 . . . . 0.0 113.492 -173.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.68 -36.47 74.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.541 1.136 . . . . 0.0 112.599 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -77.09 -49.54 15.06 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.707 0.803 . . . . 0.0 112.258 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.85 -35.07 79.43 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.594 1.088 . . . . 0.0 112.192 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t -70.97 -38.67 72.77 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.29 83.08 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.566 -1.334 . . . . 0.0 112.331 171.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.85 -50.35 69.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.674 0.79 . . . . 0.0 111.461 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.23 -32.7 74.29 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 120.122 1.328 . . . . 0.0 112.871 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -65.49 -46.69 78.75 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.367 -0.833 . . . . 0.0 111.397 173.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -66.41 -32.37 73.71 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.821 0.848 . . . . 0.0 112.887 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -61.49 -42.75 99.27 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.14 0.976 . . . . 0.0 112.65 172.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 64.2 mtm -83.6 -6.7 59.52 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.36 25.12 75.76 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.188 0.899 . . . . 0.0 113.765 -173.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -69.77 100.07 1.46 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.444 1.498 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -71.22 -2.21 15.21 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.271 1.429 . . . . 0.0 114.796 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.0 -33.23 74.16 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-O 119.506 -0.608 . . . . 0.0 113.118 168.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.87 -157.03 17.01 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.784 1.183 . . . . 0.0 114.928 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 66.05 -162.6 42.64 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.746 1.165 . . . . 0.0 115.51 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 31.5 t -160.37 154.88 23.72 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.735 1.614 . . . . 0.0 110.335 172.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 171.21 -167.72 40.86 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.515 -0.741 . . . . 0.0 114.339 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 77.86 -174.32 54.86 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 124.749 1.166 . . . . 0.0 114.223 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 172.9 -11.33 0.04 OUTLIER Glycine 0 CA--C 1.537 1.448 0 N-CA-C 116.175 1.23 . . . . 0.0 116.175 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 57.8 m -71.47 160.6 32.43 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.938 1.369 . . . . 0.0 111.525 173.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -37.37 71.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.728 0.811 . . . . 0.0 112.4 -178.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -67.19 -26.43 66.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.832 0.853 . . . . 0.0 113.203 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -73.85 -51.49 16.09 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.358 -0.838 . . . . 0.0 110.473 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 11.6 tt -62.81 -38.64 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.042 0.937 . . . . 0.0 112.105 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -56.82 -53.38 58.55 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.665 1.12 . . . . 0.0 111.963 175.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.79 -46.49 81.86 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.501 0.72 . . . . 0.0 111.977 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 54.7 tp -67.5 -42.87 82.15 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.754 0.822 . . . . 0.0 112.834 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.6 tp -72.21 -34.51 68.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.503 0.721 . . . . 0.0 112.1 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.46 78.48 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.454 -0.779 . . . . 0.0 113.01 170.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -62.49 -44.92 95.21 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.704 1.202 . . . . 0.0 111.612 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 54.4 p -65.85 -38.88 90.04 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.629 -0.67 . . . . 0.0 112.775 172.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.54 -45.07 88.72 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.162 0.985 . . . . 0.0 112.71 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.6 t -64.86 -29.7 70.66 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.843 -1.161 . . . . 0.0 112.825 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.37 -36.03 80.54 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.041 -1.037 . . . . 0.0 112.821 173.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 90.2 mt -58.76 -47.8 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 121.218 -0.926 . . . . 0.0 109.78 170.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -61.08 -42.25 98.17 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.567 0.747 . . . . 0.0 112.584 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -58.19 -50.16 74.5 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.179 0.9 . . . . 0.0 111.763 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.19 -37.05 66.62 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -61.19 -46.8 88.97 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.717 0.69 . . . . 0.0 111.358 171.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.93 93.83 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.414 0.686 . . . . 0.0 112.492 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.25 83.18 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.401 -0.812 . . . . 0.0 112.583 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -63.3 -42.53 99.05 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.805 0.842 . . . . 0.0 111.116 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.28 -48.43 78.18 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.2 -0.938 . . . . 0.0 112.412 174.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.22 95.35 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.276 1.03 . . . . 0.0 112.884 -174.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.49 -39.61 77.55 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.597 0.635 . . . . 0.0 111.554 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -67.79 -38.16 82.99 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.947 -1.095 . . . . 0.0 113.322 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -73.35 -14.59 61.32 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 175.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -92.7 -45.22 8.15 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.91 1.284 . . . . 0.0 112.875 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.65 11.97 6.51 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.301 1.84 . . . . 0.0 114.597 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 31.7 ptt85 -75.89 -3.79 37.26 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.502 1.921 . . . . 0.0 115.177 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 127.191 2.196 . . . . 0.0 112.739 -178.753 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -70.44 160.77 48.37 Favored 'Trans proline' 0 CA--C 1.547 1.155 0 C-N-CA 123.944 3.096 . . . . 0.0 113.124 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.14 155.25 20.08 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.79 1.186 . . . . 0.0 113.239 175.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.8 p -78.2 -33.5 49.98 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.306 1.043 . . . . 0.0 113.053 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 51.04 45.14 28.19 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.498 1.919 . . . . 0.0 113.802 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -81.69 2.99 27.15 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.571 1.548 . . . . 0.0 114.576 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 52.53 17.4 0.78 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 126.638 1.975 . . . . 0.0 115.462 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 50.66 33.9 8.96 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.513 1.925 . . . . 0.0 113.969 -172.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -59.64 149.65 70.26 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.657 1.183 . . . . 0.0 113.171 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.81 162.72 41.14 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.46 2.773 . . . . 0.0 113.324 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.6 tt -58.3 -37.17 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.42 -29.18 70.51 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.562 0.745 . . . . 0.0 112.671 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -75.31 -54.22 7.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.711 0.805 . . . . 0.0 111.219 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.14 -32.47 74.05 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.031 0.832 . . . . 0.0 112.522 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -65.1 -32.12 73.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.004 1.322 . . . . 0.0 113.232 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.32 -39.03 33.81 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.011 -1.056 . . . . 0.0 112.605 171.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.5 -39.54 88.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.179 0.992 . . . . 0.0 112.132 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.82 -39.36 91.53 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.972 1.26 . . . . 0.0 111.944 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -68.86 -43.21 75.87 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.162 0.985 . . . . 0.0 111.398 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -68.58 -30.63 69.42 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.938 0.895 . . . . 0.0 113.271 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -62.13 -39.58 93.06 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.86 -1.15 . . . . 0.0 111.859 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 mtm -79.9 7.63 8.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.631 1.573 . . . . 0.0 114.17 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 11.42 84.17 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.046 1.178 . . . . 0.0 116.046 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -73.24 162.39 29.43 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 118.871 1.336 . . . . 0.0 112.058 171.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -70.62 -23.99 62.65 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.52 178.63 36.54 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.681 1.134 . . . . 0.0 114.411 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.98 165.58 43.72 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.658 1.123 . . . . 0.0 113.651 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.28 10.2 0.07 OUTLIER Glycine 0 CA--C 1.54 1.642 0 N-CA-C 115.383 0.913 . . . . 0.0 115.383 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -160.06 171.65 18.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.992 1.717 . . . . 0.0 111.468 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.29 172.74 31.5 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.75 1.166 . . . . 0.0 112.761 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.09 164.24 53.75 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-O 121.848 0.693 . . . . 0.0 114.492 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.98 -64.08 0.07 OUTLIER Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.88 1.228 . . . . 0.0 111.992 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -82.92 160.57 22.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.974 0.91 . . . . 0.0 111.657 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -36.33 70.57 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.44 1.096 . . . . 0.0 112.682 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.9 -30.18 70.27 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.328 -0.857 . . . . 0.0 112.819 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -71.88 -45.92 59.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.52 0.728 . . . . 0.0 110.986 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -67.21 -37.57 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.602 0.761 . . . . 0.0 111.839 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -56.11 -48.96 75.16 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.188 0.904 . . . . 0.0 111.56 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -65.2 -47.08 78.16 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.985 0.914 . . . . 0.0 112.834 -177.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.74 -47.5 80.8 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.589 0.631 . . . . 0.0 111.816 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.42 -36.73 71.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.72 -38.15 80.02 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.55 -0.719 . . . . 0.0 112.597 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.99 -42.5 99.21 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.969 0.908 . . . . 0.0 111.007 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 m -62.5 -44.87 95.32 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.76 -38.67 82.45 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.367 1.067 . . . . 0.0 112.018 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.6 m -59.95 -39.89 87.13 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.392 -0.818 . . . . 0.0 112.072 176.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.89 -36.14 77.71 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.104 -0.997 . . . . 0.0 113.149 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.2 -50.76 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 O-C-N 121.33 -0.856 . . . . 0.0 109.99 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.15 -42.63 95.28 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.996 0.919 . . . . 0.0 112.384 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -57.16 -50.24 73.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.821 1.249 . . . . 0.0 112.38 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.62 -38.04 67.89 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.28 0.632 . . . . 0.0 112.691 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.99 -41.35 99.55 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.102 0.864 . . . . 0.0 112.205 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.16 97.45 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.16 95.47 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.544 0.738 . . . . 0.0 112.594 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -62.54 -47.52 83.56 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.098 0.959 . . . . 0.0 111.059 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -64.24 -36.0 82.65 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.376 -0.827 . . . . 0.0 113.034 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.82 82.58 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.739 1.216 . . . . 0.0 113.304 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.427 HD11 ' CD1' ' B' ' 158' ' ' LEU . 1.2 pp -73.58 -38.63 65.1 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.527 0.603 . . . . 0.0 111.964 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.44 -49.49 77.59 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.587 0.755 . . . . 0.0 112.578 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -68.75 -30.06 68.59 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.6 -24.09 56.52 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.248 1.019 . . . . 0.0 113.117 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -123.43 38.47 4.18 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.995 2.118 . . . . 0.0 111.247 -173.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -83.98 -14.47 50.73 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -174.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 C--O 1.252 1.19 0 C-N-CA 126.329 1.852 . . . . 0.0 113.225 -176.604 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.749 -0.54 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.26 159.36 31.18 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.178 3.252 . . . . 0.0 114.58 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.8 -159.96 21.24 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.514 1.054 . . . . 0.0 113.057 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 45.7 m -72.58 149.49 43.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.1 0.96 . . . . 0.0 112.247 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -138.64 147.19 42.59 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.17 1.388 . . . . 0.0 111.915 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -90.95 15.05 12.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.377 1.471 . . . . 0.0 114.91 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.74 -26.72 65.88 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.54 18.62 8.34 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.208 1.803 . . . . 0.0 114.042 -177.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.28 150.6 31.44 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.954 1.302 . . . . 0.0 114.071 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.49 167.07 28.02 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.713 2.942 . . . . 0.0 112.897 -174.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.5 tt -58.81 -31.92 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -64.12 -34.6 78.43 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.212 -0.93 . . . . 0.0 112.431 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -73.97 -53.26 10.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.875 0.761 . . . . 0.0 111.73 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.77 -31.06 71.46 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.162 -0.961 . . . . 0.0 113.154 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 39.7 t -69.07 -42.8 75.73 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.338 0.655 . . . . 0.0 111.089 171.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.94 89.62 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.578 -1.326 . . . . 0.0 111.6 172.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.87 -46.07 86.57 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.846 0.748 . . . . 0.0 112.605 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.01 -34.17 77.14 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.49 1.495 . . . . 0.0 112.376 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -66.1 -37.41 85.71 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.181 0.992 . . . . 0.0 111.602 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -69.05 -31.78 70.8 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.532 1.533 . . . . 0.0 113.081 174.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.98 -34.53 77.95 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.27 1.395 . . . . 0.0 112.318 169.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 51.0 mtt -75.61 -15.36 60.35 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.48 1.112 . . . . 0.0 113.661 172.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 103.07 3.37 48.46 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 126.116 1.817 . . . . 0.0 116.559 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -87.12 152.84 22.0 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.14 1.376 . . . . 0.0 111.644 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -68.18 -33.61 74.76 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.538 -1.351 . . . . 0.0 114.561 -168.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 168.7 -172.85 43.26 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.647 1.118 . . . . 0.0 113.749 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 169.31 -150.74 15.96 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.199 0.904 . . . . 0.0 113.944 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -168.99 -150.4 6.68 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 125.679 1.609 . . . . 0.0 111.917 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 41.7 p -76.56 163.2 27.13 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 117.892 0.846 . . . . 0.0 111.373 164.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -90.99 15.98 59.64 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.799 1.666 . . . . 0.0 113.54 166.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 115.75 -2.3 21.52 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 125.499 1.523 . . . . 0.0 115.097 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.08 19.33 70.03 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 118.905 1.352 . . . . 0.0 115.522 172.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 37.7 t -61.44 158.04 15.61 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.486 1.143 . . . . 0.0 112.464 169.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.9 tpt -64.64 -28.16 69.42 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -75.33 -38.04 60.42 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.503 -0.748 . . . . 0.0 112.163 169.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -61.49 -46.52 89.66 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.26 1.024 . . . . 0.0 111.583 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.8 tt -62.82 -41.04 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 121.643 -0.66 . . . . 0.0 112.725 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -60.48 -48.68 80.71 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.343 0.974 . . . . 0.0 110.957 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.15 -45.8 86.9 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.263 0.625 . . . . 0.0 112.165 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 46.9 tp -68.06 -40.77 82.72 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.809 0.844 . . . . 0.0 112.709 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.7 tp -77.98 -26.01 48.45 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.449 1.1 . . . . 0.0 112.329 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.95 79.5 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.518 -0.739 . . . . 0.0 112.224 168.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -57.5 -46.59 83.58 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.314 -0.866 . . . . 0.0 112.618 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 51.3 p -65.24 -38.1 89.31 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.49 -44.27 91.5 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.956 0.902 . . . . 0.0 112.204 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 74.3 m -59.93 -41.44 91.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.831 0.852 . . . . 0.0 111.79 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -66.31 -33.68 76.28 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.116 -0.99 . . . . 0.0 113.223 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.9 -49.29 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.469 0.708 . . . . 0.0 110.033 170.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -65.91 -40.38 91.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.692 1.197 . . . . 0.0 112.347 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 34.9 mtp-105 -58.91 -47.59 84.45 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.429 1.092 . . . . 0.0 112.326 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.38 -36.08 73.91 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.53 -42.21 95.9 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.699 0.681 . . . . 0.0 112.42 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.3 99.23 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 174.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.6 85.08 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.748 0.819 . . . . 0.0 112.246 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -61.24 -40.53 94.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.703 1.201 . . . . 0.0 111.44 177.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -44.02 90.86 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.083 174.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.51 91.11 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.815 0.846 . . . . 0.0 113.162 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 158' ' ' LEU . . . . . 0.427 ' CD1' HD11 ' A' ' 58' ' ' LEU . 4.3 pp -71.53 -23.05 61.7 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.5 -41.77 79.53 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.598 -0.689 . . . . 0.0 112.158 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -65.72 -35.36 80.51 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.199 -0.938 . . . . 0.0 112.363 173.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.74 76.15 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.082 0.953 . . . . 0.0 113.222 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 67.8 mtt85 -77.91 -5.34 50.74 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -105.91 10.35 32.44 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 169.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 . . . . . 0 C--O 1.255 1.345 0 C-N-CA 128.132 2.573 . . . . 0.0 114.866 176.406 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.415 0 CA-C-O 119.43 -0.65 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.29 141.36 51.53 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.616 2.878 . . . . 0.0 112.493 -177.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.37 -33.09 0.44 Allowed Glycine 0 CA--C 1.534 1.264 0 C-N-CA 126.767 2.127 . . . . 0.0 117.25 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.3 t 52.98 44.19 30.75 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.337 1.455 . . . . 0.0 112.667 -174.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -60.03 152.93 22.74 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.533 1.533 . . . . 0.0 114.174 -170.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -79.43 30.27 0.23 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.442 1.897 . . . . 0.0 113.918 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.96 104.59 5.61 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.601 1.56 . . . . 0.0 112.8 -171.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.61 36.54 17.53 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.813 2.045 . . . . 0.0 114.596 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.25 152.32 79.23 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.805 1.242 . . . . 0.0 112.536 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.02 164.57 29.47 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.239 2.626 . . . . 0.0 112.933 -175.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 tt -56.32 -35.11 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.654 1.182 . . . . 0.0 113.842 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -64.42 -26.35 68.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.764 0.826 . . . . 0.0 113.203 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -81.16 -55.99 4.38 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.452 -0.78 . . . . 0.0 112.234 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.66 -32.16 73.56 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.901 -1.124 . . . . 0.0 113.284 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -74.25 -23.86 59.21 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.55 -39.4 46.04 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.693 0.679 . . . . 0.0 111.923 167.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.68 -41.45 90.7 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.663 0.785 . . . . 0.0 112.387 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.43 -34.78 78.72 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.22 0.918 . . . . 0.0 112.544 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -69.7 -42.69 73.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.583 0.629 . . . . 0.0 111.487 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -59.59 -38.48 81.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.974 1.31 . . . . 0.0 112.442 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -66.64 -28.53 68.55 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 172.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.5 mtm -92.94 -2.8 55.47 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.168 1.387 . . . . 0.0 114.719 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.9 17.49 76.96 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 114.659 -172.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -95.61 17.6 14.53 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 128.131 2.573 . . . . 0.0 112.773 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -62.99 -7.2 4.82 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 -165.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.72 -16.86 80.38 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.223 0.916 . . . . 0.0 114.307 169.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.2 151.03 39.74 Favored Glycine 0 CA--C 1.543 1.813 0 CA-C-N 118.329 1.065 . . . . 0.0 114.269 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.11 166.55 54.86 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.835 1.207 . . . . 0.0 114.106 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.6 p -68.02 -31.83 71.79 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.98 -144.27 48.97 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 123.864 0.745 . . . . 0.0 114.09 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.72 10.99 80.65 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.765 1.174 . . . . 0.0 115.885 174.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.05 -9.16 87.35 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 124.929 1.252 . . . . 0.0 114.994 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.5 t -152.82 162.46 41.26 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.336 1.855 . . . . 0.0 111.055 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -35.66 65.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.968 1.307 . . . . 0.0 112.73 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -68.92 -27.84 66.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.09 0.956 . . . . 0.0 113.197 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -75.91 -48.0 23.06 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.475 -0.765 . . . . 0.0 110.98 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -66.62 -35.43 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.486 -0.759 . . . . 0.0 112.029 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -61.28 -25.83 67.36 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.696 1.135 . . . . 0.0 113.288 174.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -85.24 -50.33 7.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.884 0.874 . . . . 0.0 111.792 170.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 tp -66.96 -45.32 78.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.538 1.135 . . . . 0.0 113.241 -171.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.9 tp -72.85 -23.46 60.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.895 1.278 . . . . 0.0 112.765 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.63 -30.48 56.91 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.739 0.816 . . . . 0.0 112.637 169.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -69.09 -41.0 78.08 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.165 -0.959 . . . . 0.0 112.913 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 p -65.28 -39.29 92.38 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.108 0.563 . . . . 0.0 111.999 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.17 -41.89 93.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.785 1.234 . . . . 0.0 112.191 171.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.7 m -60.74 -41.3 95.11 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.391 0.676 . . . . 0.0 111.9 174.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -66.45 -36.52 82.98 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.494 -0.754 . . . . 0.0 112.459 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -59.69 -52.58 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.446 1.021 . . . . 0.0 110.472 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -56.74 -43.77 81.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.517 0.727 . . . . 0.0 112.477 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 46.1 ttm180 -58.13 -52.39 65.74 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.217 1.407 . . . . 0.0 112.111 176.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.43 -34.34 65.4 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.791 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.67 -44.51 96.82 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.432 1.015 . . . . 0.0 111.808 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.83 91.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.669 0.788 . . . . 0.0 112.342 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.98 86.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.68 0.792 . . . . 0.0 112.126 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -59.39 -47.25 86.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.435 1.494 . . . . 0.0 111.584 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -62.06 -41.81 98.54 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.595 0.758 . . . . 0.0 112.556 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -47.77 76.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.291 0.636 . . . . 0.0 112.376 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.51 -27.91 64.55 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.97 -46.72 83.36 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.263 -0.898 . . . . 0.0 111.765 171.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -66.53 -36.4 82.59 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.473 0.709 . . . . 0.0 112.476 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.12 -34.67 78.11 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -85.41 -9.35 57.66 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -76.23 53.06 0.79 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.05 2.14 . . . . 0.0 114.701 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 . . . . . 0 C--O 1.25 1.125 0 C-N-CA 125.166 1.386 . . . . 0.0 113.087 174.283 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.505 0 CA-C-O 119.788 -0.451 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -73.26 -19.88 21.92 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.004 3.136 . . . . 0.0 114.14 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.79 -157.18 53.52 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.362 0.982 . . . . 0.0 113.578 -173.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.5 t -67.84 154.82 40.72 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.188 0.995 . . . . 0.0 112.617 176.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -63.47 158.14 21.6 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.685 1.194 . . . . 0.0 113.795 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -131.8 149.75 52.37 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.038 2.135 . . . . 0.0 110.316 168.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . 59.83 -33.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 128.375 2.67 . . . . 0.0 116.914 -172.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.14 -16.48 60.53 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.901 1.68 . . . . 0.0 113.872 175.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' B' ' 109' ' ' LEU . 2.8 pp -56.2 152.47 22.49 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 125.602 1.561 . . . . 0.0 112.182 164.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -62.44 153.74 68.94 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 122.854 2.37 . . . . 0.0 112.393 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.6 tt -66.61 -25.26 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -171.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -65.51 -28.11 68.95 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.604 -0.685 . . . . 0.0 112.161 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -73.88 -48.36 31.49 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.666 -1.271 . . . . 0.0 112.589 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.47 -34.15 76.59 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.908 -1.12 . . . . 0.0 112.307 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.0 t -63.13 -41.9 99.4 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.804 0.842 . . . . 0.0 112.458 169.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.81 72.36 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.86 -1.15 . . . . 0.0 112.824 174.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.2 -46.52 77.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.039 0.836 . . . . 0.0 111.931 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.66 -32.65 72.64 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.298 1.408 . . . . 0.0 112.898 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -61.63 -46.66 88.85 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.189 0.904 . . . . 0.0 111.25 170.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -65.24 -41.92 93.88 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.262 1.425 . . . . 0.0 113.088 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -67.23 -34.04 76.63 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.189 -0.945 . . . . 0.0 113.022 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 77.4 mtm -78.69 -12.65 60.03 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 171.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 64.59 28.72 73.61 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.723 1.154 . . . . 0.0 113.381 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -79.14 132.14 36.46 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.42 1.488 . . . . 0.0 113.995 -168.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -94.47 -11.31 29.97 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.259 1.424 . . . . 0.0 113.476 170.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.91 -15.88 79.56 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.272 1.415 . . . . 0.0 116.038 -171.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.83 -142.74 32.52 Favored Glycine 0 CA--C 1.537 1.434 0 CA-C-N 118.955 1.377 . . . . 0.0 114.406 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.39 155.91 32.31 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.373 1.463 . . . . 0.0 113.356 -172.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 31.5 t -156.92 159.48 38.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.94 1.296 . . . . 0.0 111.275 -177.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.96 70.56 1.77 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.879 1.704 . . . . 0.0 114.202 -174.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -69.92 -9.65 63.31 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 124.697 1.142 . . . . 0.0 115.854 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.73 -8.05 80.6 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.359 1.457 . . . . 0.0 116.168 170.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.7 m -76.27 152.35 36.51 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.397 1.598 . . . . 0.0 111.138 168.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 11.1 mmt -57.67 -33.1 67.98 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -68.2 -25.75 65.39 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.178 -0.951 . . . . 0.0 113.354 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -75.38 -49.71 18.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.501 1.046 . . . . 0.0 110.893 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.63 -41.65 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.658 1.183 . . . . 0.0 111.716 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -59.11 -46.59 87.93 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.325 0.966 . . . . 0.0 111.83 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -66.04 -51.44 58.23 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.714 0.688 . . . . 0.0 112.853 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.91 -42.07 98.65 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.487 -0.758 . . . . 0.0 112.53 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.97 -30.63 62.6 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.272 0.629 . . . . 0.0 112.523 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.85 77.12 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 170.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -60.34 -51.01 71.36 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.441 1.018 . . . . 0.0 111.791 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 66.9 p -64.31 -39.5 94.04 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 176.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.9 -39.62 95.06 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.697 -1.252 . . . . 0.0 112.078 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 84.1 m -61.52 -38.0 85.77 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.303 -0.873 . . . . 0.0 111.388 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -69.14 -33.84 74.06 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.142 -0.974 . . . . 0.0 112.931 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.9 -49.6 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 120.963 -1.086 . . . . 0.0 109.681 171.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -54.76 -47.06 74.36 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.853 0.861 . . . . 0.0 111.435 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.75 -49.69 76.48 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.167 1.387 . . . . 0.0 112.246 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.83 -44.3 81.46 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.35 0.66 . . . . 0.0 112.748 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -66.73 -39.5 88.0 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.855 0.752 . . . . 0.0 111.907 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.35 83.22 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.218 0.607 . . . . 0.0 112.463 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.4 92.8 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.628 0.771 . . . . 0.0 112.39 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -57.77 -50.38 73.45 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.935 1.294 . . . . 0.0 111.073 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -62.01 -41.45 98.09 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.596 0.758 . . . . 0.0 112.67 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.08 -47.57 64.91 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.623 0.769 . . . . 0.0 112.949 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.14 -26.94 63.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.303 -0.873 . . . . 0.0 113.292 -175.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.31 -35.31 75.31 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.621 0.769 . . . . 0.0 112.165 170.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -86.09 -32.96 21.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.575 1.15 . . . . 0.0 112.896 176.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.66 78.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.217 1.007 . . . . 0.0 112.707 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -88.84 12.96 13.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.69 1.596 . . . . 0.0 114.337 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 -76.98 -12.25 59.91 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.551 1.94 . . . . 0.0 114.286 -177.705 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 CA-C-O 119.675 -0.514 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -69.62 158.31 57.57 Favored 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 124.097 3.198 . . . . 0.0 113.437 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.74 -163.69 54.82 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.728 1.156 . . . . 0.0 114.719 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.9 p -150.95 158.71 44.48 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.642 1.577 . . . . 0.0 112.084 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -132.52 -1.39 3.5 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -94.06 39.17 1.08 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.745 1.618 . . . . 0.0 112.861 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -117.18 119.13 34.27 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.009 1.723 . . . . 0.0 111.061 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.62 25.39 8.02 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.231 1.813 . . . . 0.0 115.548 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.82 156.29 66.57 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 124.715 1.206 . . . . 0.0 111.794 168.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.95 163.99 33.52 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.286 2.657 . . . . 0.0 113.589 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.3 tt -59.72 -31.87 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -173.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.3 -27.38 68.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.965 0.906 . . . . 0.0 113.049 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -85.37 -52.75 5.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.46 0.704 . . . . 0.0 112.036 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.93 -32.01 73.4 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.524 1.056 . . . . 0.0 113.198 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -67.24 -29.43 69.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.524 0.73 . . . . 0.0 112.875 173.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.71 -33.5 31.09 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.358 -0.839 . . . . 0.0 112.808 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.03 -44.99 95.53 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.275 -0.891 . . . . 0.0 111.65 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.88 -37.2 85.96 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.623 1.101 . . . . 0.0 112.191 178.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -66.7 -44.85 80.58 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.605 0.762 . . . . 0.0 111.51 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.05 -33.47 74.63 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -67.5 -28.23 67.67 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.223 1.009 . . . . 0.0 112.802 172.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.0 mtt -82.3 -9.01 59.64 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.14 1.376 . . . . 0.0 113.354 170.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.78 15.12 71.23 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.923 1.249 . . . . 0.0 115.923 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -71.25 134.55 46.92 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 118.693 1.247 . . . . 0.0 111.273 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -70.74 -24.37 62.61 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.167 0.987 . . . . 0.0 112.978 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.66 141.6 28.74 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.318 0.961 . . . . 0.0 113.272 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.45 8.47 7.85 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.845 1.688 . . . . 0.0 114.303 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.27 164.12 53.9 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-N 118.382 1.091 . . . . 0.0 114.273 -177.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t -143.65 161.11 39.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.93 1.692 . . . . 0.0 111.933 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.5 174.8 52.07 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.344 0.974 . . . . 0.0 115.055 -176.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.4 -11.8 83.79 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.944 1.259 . . . . 0.0 114.763 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.48 17.04 11.78 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.343 1.449 . . . . 0.0 114.779 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.0 t -68.88 159.2 33.01 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.716 1.258 . . . . 0.0 111.987 172.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.9 tpt -61.96 -26.66 68.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.766 0.826 . . . . 0.0 112.507 174.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -71.23 -31.57 67.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.082 0.953 . . . . 0.0 113.018 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -71.72 -47.33 54.58 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.73 0.812 . . . . 0.0 111.186 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -63.58 -38.93 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.37 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -58.44 -49.08 78.59 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.822 1.192 . . . . 0.0 111.545 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -63.57 -49.67 72.48 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.931 0.787 . . . . 0.0 112.502 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.02 -46.84 82.66 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.716 0.689 . . . . 0.0 112.019 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.46 -33.29 62.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 122.933 0.493 . . . . 0.0 112.305 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.38 -42.42 83.41 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.971 0.805 . . . . 0.0 112.414 170.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -64.58 -41.48 96.24 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.383 1.073 . . . . 0.0 111.544 178.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 t -62.45 -46.61 87.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.257 1.023 . . . . 0.0 112.897 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.81 -38.72 89.18 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.166 -0.959 . . . . 0.0 112.78 175.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.7 m -59.91 -41.75 92.39 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.106 -0.996 . . . . 0.0 112.061 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.66 -32.74 73.63 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.321 -0.862 . . . . 0.0 113.009 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -56.68 -49.26 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 121.378 -0.826 . . . . 0.0 109.788 171.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.19 -36.88 84.23 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.027 0.931 . . . . 0.0 113.036 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -61.86 -45.48 93.6 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.193 0.906 . . . . 0.0 112.404 173.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.54 -40.16 80.81 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.436 0.695 . . . . 0.0 112.073 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -65.52 -39.71 92.14 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.869 0.759 . . . . 0.0 112.053 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.29 96.89 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.477 0.711 . . . . 0.0 112.142 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.7 91.68 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -61.79 -45.1 95.31 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.372 1.069 . . . . 0.0 111.459 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -64.54 -43.8 92.83 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.506 -0.746 . . . . 0.0 112.285 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.54 99.79 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.462 1.105 . . . . 0.0 113.106 -177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.421 HD11 HD11 ' B' ' 158' ' ' LEU . 1.7 pp -71.47 -39.53 70.86 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.378 -0.826 . . . . 0.0 111.376 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.25 -44.86 90.49 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.274 -0.891 . . . . 0.0 112.013 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -11.91 60.2 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.0 -29.05 18.7 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.431 1.092 . . . . 0.0 113.367 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.93 -10.58 52.95 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -174.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.73 13.28 3.27 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -173.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 124.651 1.18 . . . . 0.0 114.09 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 CA-C-O 119.624 -0.542 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.54 152.47 68.0 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 123.998 3.132 . . . . 0.0 114.558 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 170.39 -161.77 34.83 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.466 1.032 . . . . 0.0 113.239 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 86.9 p -149.7 160.76 43.26 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.084 1.353 . . . . 0.0 112.103 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -76.47 -5.76 48.85 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 -175.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -77.3 4.02 11.67 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.07 -27.29 66.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.712 1.605 . . . . 0.0 113.911 171.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.28 21.03 2.98 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.639 1.575 . . . . 0.0 114.36 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.77 149.13 33.36 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 124.453 1.101 . . . . 0.0 112.756 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.98 170.4 19.85 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.404 2.736 . . . . 0.0 114.044 -168.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 tp -55.61 -37.39 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.278 1.431 . . . . 0.0 113.225 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -66.59 -39.34 88.37 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.922 0.889 . . . . 0.0 112.158 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.95 -48.84 42.29 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.985 0.914 . . . . 0.0 112.067 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.76 -33.08 74.85 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.802 1.183 . . . . 0.0 112.734 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.9 t -61.67 -48.62 79.97 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.959 0.903 . . . . 0.0 111.755 168.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.94 80.86 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.55 -1.344 . . . . 0.0 113.021 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.7 -51.85 56.09 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.528 1.131 . . . . 0.0 112.042 175.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.75 -33.52 76.16 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.419 1.463 . . . . 0.0 112.465 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -62.24 -54.5 39.96 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.928 0.891 . . . . 0.0 111.588 174.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.91 -26.14 63.08 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -61.94 -42.43 99.09 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.17 -0.956 . . . . 0.0 111.948 169.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 73.0 mtm -76.04 -6.21 50.01 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.713 1.205 . . . . 0.0 114.169 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.26 10.79 77.06 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.96 1.267 . . . . 0.0 114.947 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -72.16 144.91 48.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.99 1.395 . . . . 0.0 111.03 172.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -78.63 57.45 2.03 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.268 1.427 . . . . 0.0 112.694 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 65.86 -149.73 51.61 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.696 1.141 . . . . 0.0 113.634 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -177.56 173.6 46.25 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.651 1.12 . . . . 0.0 113.869 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -72.73 148.25 41.41 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.584 1.088 . . . . 0.0 113.245 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 79.3 p -79.7 -13.05 59.74 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.012 1.325 . . . . 0.0 113.803 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.63 -167.19 28.78 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.001 1.286 . . . . 0.0 114.601 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.67 -176.67 53.47 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 124.539 1.066 . . . . 0.0 114.601 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.12 4.55 0.49 Allowed Glycine 0 CA--C 1.542 1.733 0 C-N-CA 125.939 1.733 . . . . 0.0 115.175 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 58.9 m -73.47 166.45 23.2 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.972 1.386 . . . . 0.0 112.096 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -37.08 68.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.23 1.012 . . . . 0.0 113.0 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -64.36 -28.29 69.6 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -79.76 -45.2 19.29 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.145 -0.972 . . . . 0.0 110.924 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.16 -38.94 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.613 0.765 . . . . 0.0 111.985 172.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -58.9 -49.77 76.54 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.488 1.04 . . . . 0.0 111.667 172.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.71 -48.63 79.87 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.321 0.964 . . . . 0.0 112.964 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.01 -53.05 62.75 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.793 0.837 . . . . 0.0 112.477 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.38 -35.15 65.88 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.56 74.77 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.614 0.643 . . . . 0.0 112.61 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.9 -44.01 81.89 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.177 0.899 . . . . 0.0 111.556 174.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 22.2 t -58.95 -43.35 91.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.891 0.477 . . . . 0.0 112.273 173.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.17 -42.39 99.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.304 1.041 . . . . 0.0 112.295 172.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 70.8 m -60.17 -39.54 86.8 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.855 -1.153 . . . . 0.0 111.798 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -65.64 -32.97 74.83 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.441 1.019 . . . . 0.0 112.686 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.78 -50.02 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.694 1.134 . . . . 0.0 109.493 169.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.33 -42.33 95.4 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.948 0.899 . . . . 0.0 112.229 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -59.0 -46.81 87.25 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.258 0.936 . . . . 0.0 112.187 175.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.87 -35.31 62.31 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -62.33 -40.83 97.67 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.002 0.819 . . . . 0.0 111.689 170.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.69 85.45 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.87 89.99 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.412 -0.805 . . . . 0.0 112.137 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -63.24 -41.85 99.12 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.827 0.851 . . . . 0.0 111.426 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.04 -44.99 94.34 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.292 -0.88 . . . . 0.0 112.405 172.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -63.44 -36.04 82.42 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 158' ' ' LEU . . . . . 0.421 HD11 HD11 ' A' ' 58' ' ' LEU . 3.9 pp -78.67 -32.78 47.26 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 172.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.25 -40.23 95.51 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.86 -1.15 . . . . 0.0 112.023 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.82 -3.69 39.71 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -103.92 -40.81 6.08 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.26 1.424 . . . . 0.0 113.777 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -69.81 -12.34 61.55 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -71.03 -11.66 61.09 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.629 1.572 . . . . 0.0 113.103 179.571 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 CA-C-O 119.23 -0.761 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -60.0 163.18 14.57 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 124.487 3.458 . . . . 0.0 114.325 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.77 -173.89 21.96 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.581 1.086 . . . . 0.0 114.117 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.2 t -70.63 165.11 23.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.74 1.216 . . . . 0.0 113.507 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -123.91 167.54 13.98 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.767 2.027 . . . . 0.0 112.232 -175.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.82 36.69 0.17 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.607 1.563 . . . . 0.0 113.745 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.86 115.77 16.94 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.131 1.772 . . . . 0.0 111.844 -175.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.37 23.64 9.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.273 2.229 . . . . 0.0 116.114 169.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.04 155.44 87.14 Favored Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.516 1.126 . . . . 0.0 112.393 171.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -66.25 160.24 46.04 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.227 2.618 . . . . 0.0 113.932 -170.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.6 tp -59.54 -37.25 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.155 0.982 . . . . 0.0 113.061 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -69.57 -29.59 67.19 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -72.39 -52.41 16.15 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.91 0.884 . . . . 0.0 111.272 177.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.89 -30.87 71.54 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.282 -0.887 . . . . 0.0 112.857 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -66.95 -33.06 74.75 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.321 1.048 . . . . 0.0 112.674 170.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.96 -33.34 61.9 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.078 -1.638 . . . . 0.0 112.942 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.15 -46.23 78.19 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.077 0.951 . . . . 0.0 111.452 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.33 -33.06 74.98 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.734 1.152 . . . . 0.0 112.54 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -66.04 -50.26 64.82 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.068 0.849 . . . . 0.0 112.48 173.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -72.87 -27.19 61.77 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -66.34 -34.44 77.98 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.084 -1.01 . . . . 0.0 111.927 167.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.2 mtm -80.62 3.64 21.24 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.313 1.445 . . . . 0.0 113.801 169.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.19 7.63 88.34 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.801 1.667 . . . . 0.0 115.902 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -80.72 148.19 30.25 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.178 1.489 . . . . 0.0 112.873 177.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -85.65 -6.99 59.08 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.55 176.42 52.38 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.815 1.197 . . . . 0.0 114.297 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.3 168.05 41.08 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.659 1.123 . . . . 0.0 113.325 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.85 -155.32 53.51 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 123.85 0.738 . . . . 0.0 114.663 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.1 m 54.59 47.94 21.5 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.088 1.355 . . . . 0.0 113.262 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.62 152.73 11.57 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.622 1.106 . . . . 0.0 113.749 174.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.15 110.82 3.68 Favored Glycine 0 CA--C 1.539 1.55 0 O-C-N 121.963 -0.727 . . . . 0.0 114.702 -166.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.58 -10.38 44.2 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.489 1.518 . . . . 0.0 115.18 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -151.17 165.12 34.87 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.103 1.761 . . . . 0.0 111.057 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.8 mmt -54.73 -39.7 68.51 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -172.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.27 -28.37 69.68 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -82.22 -45.05 15.57 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.488 1.115 . . . . 0.0 111.34 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.66 -40.43 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.584 0.753 . . . . 0.0 111.668 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.37 -50.74 72.79 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.899 0.772 . . . . 0.0 111.679 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -69.28 -39.19 78.51 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.36 -46.62 87.85 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.197 0.908 . . . . 0.0 111.841 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 tp -74.48 -30.69 61.93 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.309 0.644 . . . . 0.0 112.719 -176.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.66 83.2 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.424 -0.798 . . . . 0.0 112.606 170.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -63.83 -45.48 89.39 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.765 0.826 . . . . 0.0 112.247 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.1 p -66.06 -39.53 90.16 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.73 -41.9 98.25 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.936 -1.102 . . . . 0.0 111.991 172.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.3 m -59.83 -41.55 91.6 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.547 -0.721 . . . . 0.0 111.597 176.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -64.35 -35.3 80.42 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.278 -0.889 . . . . 0.0 113.082 177.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.51 -49.65 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.428 1.013 . . . . 0.0 109.571 172.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -59.37 -43.59 92.84 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.44 0.696 . . . . 0.0 112.315 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -60.75 -47.57 85.68 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.245 1.018 . . . . 0.0 112.704 175.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.28 -45.62 83.73 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.26 -42.14 99.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.762 0.825 . . . . 0.0 111.59 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.82 90.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.567 0.747 . . . . 0.0 112.362 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.38 92.48 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.536 -0.727 . . . . 0.0 112.657 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -61.2 -45.56 94.08 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.732 1.213 . . . . 0.0 111.12 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -63.38 -43.92 96.22 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.425 0.69 . . . . 0.0 112.323 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.85 91.52 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 pp -75.82 -37.97 58.58 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.635 0.652 . . . . 0.0 112.044 176.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -64.19 -35.21 80.06 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.507 -0.746 . . . . 0.0 112.874 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -77.48 -27.01 51.85 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 174.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.7 -40.18 56.19 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.302 -0.874 . . . . 0.0 112.457 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -89.22 19.3 4.41 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.89 1.676 . . . . 0.0 113.865 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -91.21 -10.84 40.19 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 116.901 2.185 . . . . 0.0 116.901 -168.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 C--O 1.255 1.353 0 C-N-CA 125.257 1.423 . . . . 0.0 113.041 177.469 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.421 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -56.03 139.19 84.62 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 123.235 2.623 . . . . 0.0 112.567 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.31 7.73 82.75 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.893 1.117 . . . . 0.0 115.893 -176.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 90.4 p -144.64 -45.05 0.24 Allowed 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 119.468 1.634 . . . . 0.0 113.197 176.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 58.74 -177.76 0.08 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.174 2.189 . . . . 0.0 115.207 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -79.47 10.15 4.13 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.743 1.217 . . . . 0.0 114.228 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.65 -19.37 38.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.71 2.004 . . . . 0.0 115.619 -177.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.65 7.08 31.58 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.73 155.36 70.65 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 123.684 0.794 . . . . 0.0 110.509 166.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -61.6 148.79 92.18 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.887 2.392 . . . . 0.0 113.957 -169.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.9 tt -60.33 -35.73 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -168.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.75 -33.05 74.34 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.95 -57.42 5.04 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.733 0.813 . . . . 0.0 110.984 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.27 -29.52 70.83 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.33 0.968 . . . . 0.0 113.191 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 33.6 t -73.83 -35.2 64.8 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.915 0.886 . . . . 0.0 112.673 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.01 -31.54 58.97 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.073 -1.017 . . . . 0.0 112.616 172.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mp -62.7 -46.94 85.8 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.242 -0.911 . . . . 0.0 111.794 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.81 -35.8 82.27 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.388 0.994 . . . . 0.0 112.454 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -68.09 -41.18 82.24 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.762 0.825 . . . . 0.0 111.875 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -68.41 -32.96 73.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.835 0.854 . . . . 0.0 113.236 173.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -67.05 -25.67 66.37 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.637 -1.289 . . . . 0.0 113.102 170.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 36.3 mtt -87.09 -0.51 56.78 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.919 1.688 . . . . 0.0 112.972 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 84.85 10.38 79.06 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.467 1.508 . . . . 0.0 116.118 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -82.0 101.34 10.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.201 1.5 . . . . 0.0 111.505 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.12 -11.4 60.86 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.96 2.09 81.96 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 125.076 1.322 . . . . 0.0 115.115 174.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -60.64 134.39 49.74 Favored Glycine 0 CA--C 1.543 1.838 0 CA-C-N 118.652 1.226 . . . . 0.0 114.27 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 169.96 165.75 27.83 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.858 1.694 . . . . 0.0 112.346 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 8.4 t 57.12 -168.9 0.11 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.108 1.363 . . . . 0.0 113.336 -174.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -161.26 169.8 36.9 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.043 1.306 . . . . 0.0 114.205 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -74.34 162.91 54.34 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.038 1.304 . . . . 0.0 114.928 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -143.08 10.53 2.29 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.078 1.323 . . . . 0.0 115.622 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 21.3 t -154.62 166.5 33.17 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.364 1.465 . . . . 0.0 111.218 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -39.72 78.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.006 1.322 . . . . 0.0 113.179 -174.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -68.06 -27.63 66.68 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.418 -0.801 . . . . 0.0 112.63 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -72.46 -51.69 19.08 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.294 -0.879 . . . . 0.0 110.953 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.6 tt -63.97 -38.03 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.078 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -57.89 -45.11 86.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.184 1.357 . . . . 0.0 112.476 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -68.86 -47.02 66.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.493 0.588 . . . . 0.0 111.865 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 61.6 tp -67.18 -41.39 85.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.535 1.134 . . . . 0.0 113.32 -174.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.8 tp -79.25 -22.83 44.23 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.599 1.16 . . . . 0.0 112.732 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.88 -32.6 61.91 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.237 -0.914 . . . . 0.0 113.169 168.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -62.72 -42.48 99.67 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.894 1.278 . . . . 0.0 112.753 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 65.8 p -65.96 -45.47 81.62 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.183 0.593 . . . . 0.0 111.968 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.03 -38.31 82.37 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.803 1.241 . . . . 0.0 112.517 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.4 m -60.24 -40.65 91.0 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.97 0.908 . . . . 0.0 111.776 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -73.28 -33.38 65.19 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.045 -1.034 . . . . 0.0 112.735 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 96.2 mt -57.83 -50.22 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.899 0.88 . . . . 0.0 110.267 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -61.27 -42.48 98.7 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.182 0.993 . . . . 0.0 112.195 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -59.13 -47.47 85.16 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.996 1.318 . . . . 0.0 112.082 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.84 -45.72 84.92 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.411 0.684 . . . . 0.0 112.786 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -61.53 -41.72 97.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.269 0.628 . . . . 0.0 111.957 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.67 91.79 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.663 0.785 . . . . 0.0 112.493 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.24 91.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -63.13 -42.99 99.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.451 1.1 . . . . 0.0 111.515 177.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -66.63 -38.4 86.85 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.07 -1.018 . . . . 0.0 112.925 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.86 81.8 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.301 0.64 . . . . 0.0 112.086 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.79 -28.99 65.06 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.18 -37.62 87.96 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.13 0.877 . . . . 0.0 111.473 172.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -76.23 -39.3 54.89 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.729 0.812 . . . . 0.0 112.68 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.23 77.59 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.181 -0.949 . . . . 0.0 113.152 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -82.76 -6.67 59.52 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.237 1.415 . . . . 0.0 114.454 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.15 -4.71 57.54 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -163.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 . . . . . 0 C--O 1.254 1.308 0 C-N-CA 125.493 1.517 . . . . 0.0 112.221 170.475 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 CA-C-O 119.824 -0.431 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -64.86 -25.99 59.9 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.793 2.996 . . . . 0.0 115.494 -174.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.19 -147.03 49.29 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.155 0.883 . . . . 0.0 113.637 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 t -80.37 -4.17 52.49 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -80.18 46.77 0.84 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.223 1.809 . . . . 0.0 114.077 -170.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -63.07 140.92 58.92 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.204 -0.935 . . . . 0.0 111.458 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.47 161.49 42.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.601 1.56 . . . . 0.0 110.882 -171.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 60.27 9.66 2.03 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.54 2.336 . . . . 0.0 115.715 -173.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -63.53 159.45 51.3 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 126.154 1.782 . . . . 0.0 111.171 159.204 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -62.76 156.6 52.42 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.942 2.428 . . . . 0.0 114.094 -172.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.8 tt -61.42 -35.6 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.538 1.135 . . . . 0.0 113.53 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.87 -32.76 74.24 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.685 -0.634 . . . . 0.0 111.697 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -72.56 -50.11 27.8 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.306 -0.871 . . . . 0.0 111.969 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.74 -33.08 75.03 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.556 1.071 . . . . 0.0 112.85 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.1 t -61.85 -47.98 82.59 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.889 0.876 . . . . 0.0 111.912 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.0 79.37 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.236 -0.915 . . . . 0.0 112.358 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.18 -52.41 62.48 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.271 1.028 . . . . 0.0 111.44 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.84 -35.95 81.65 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.236 1.38 . . . . 0.0 111.989 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mtm105 -71.75 -37.59 70.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.82 0.848 . . . . 0.0 112.501 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -70.25 -28.79 65.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.847 0.859 . . . . 0.0 113.301 171.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.9 -30.29 71.28 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.951 1.251 . . . . 0.0 111.856 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.2 mtm -85.43 -1.81 57.44 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.968 1.307 . . . . 0.0 114.188 168.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.43 18.67 69.93 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.842 1.21 . . . . 0.0 114.621 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -100.54 124.49 46.16 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.301 1.44 . . . . 0.0 112.189 -170.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -81.44 -13.51 58.14 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.882 1.273 . . . . 0.0 113.963 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.04 -152.24 14.17 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.208 1.385 . . . . 0.0 113.96 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.18 179.33 52.51 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.155 1.359 . . . . 0.0 114.63 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.27 168.69 50.44 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.286 0.946 . . . . 0.0 114.1 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.7 t -149.37 141.12 23.59 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.245 1.418 . . . . 0.0 111.289 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.53 -47.44 1.76 Allowed Glycine 0 CA--C 1.541 1.699 0 C-N-CA 125.797 1.665 . . . . 0.0 114.135 -175.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.92 -158.5 51.67 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.916 1.246 . . . . 0.0 114.517 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.07 -17.0 41.96 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.297 1.427 . . . . 0.0 116.028 172.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 t -82.94 154.46 24.54 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.613 1.706 . . . . 0.0 111.476 166.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.7 tpt -65.83 -20.44 66.25 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.095 0.958 . . . . 0.0 113.209 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -79.67 -25.64 41.24 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -72.01 -45.03 62.44 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.464 -0.773 . . . . 0.0 111.228 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 tt -60.42 -40.38 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.736 0.814 . . . . 0.0 111.737 170.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -34.65 73.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.288 0.949 . . . . 0.0 112.201 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -82.51 -53.54 5.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.444 1.098 . . . . 0.0 112.562 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.57 -41.14 89.01 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.516 0.726 . . . . 0.0 112.368 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 tp -71.07 -33.81 70.59 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.701 -0.625 . . . . 0.0 111.973 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.82 87.59 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.703 0.801 . . . . 0.0 112.546 170.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -59.16 -45.5 90.83 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.298 1.839 . . . . 0.0 111.09 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -65.69 -45.29 83.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.312 1.045 . . . . 0.0 112.8 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.31 -39.42 86.94 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.427 1.091 . . . . 0.0 112.174 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.9 m -61.48 -38.02 85.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.578 -0.702 . . . . 0.0 112.187 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -66.25 -33.38 75.62 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.134 -0.979 . . . . 0.0 113.176 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.85 -47.39 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 118.642 0.655 . . . . 0.0 109.669 171.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -61.28 -40.58 94.64 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.6 0.76 . . . . 0.0 112.364 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -58.75 -50.9 72.23 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.331 0.969 . . . . 0.0 112.151 173.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.38 -47.73 82.87 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.828 0.851 . . . . 0.0 111.91 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -64.85 -40.5 95.26 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.436 0.694 . . . . 0.0 112.287 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.67 95.82 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.604 0.638 . . . . 0.0 112.443 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.73 90.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.333 0.653 . . . . 0.0 112.298 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -65.26 -43.85 90.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.218 1.007 . . . . 0.0 111.071 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -63.24 -38.29 90.6 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.396 -0.815 . . . . 0.0 112.849 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.33 -49.62 47.52 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.075 0.95 . . . . 0.0 113.122 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.42 -30.72 71.75 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.56 0.618 . . . . 0.0 112.415 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.79 -20.24 63.38 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -88.98 -36.05 16.07 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.535 1.134 . . . . 0.0 111.904 171.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.87 -33.47 75.67 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.601 1.161 . . . . 0.0 113.447 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -71.0 -9.59 58.28 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -127.91 3.08 5.97 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.093 1.757 . . . . 0.0 114.823 -174.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 125.574 1.55 . . . . 0.0 113.977 -179.883 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 CA-C-O 118.969 -0.906 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.86 -17.2 22.86 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 124.018 3.145 . . . . 0.0 114.899 -171.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.28 3.2 81.63 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.123 0.868 . . . . 0.0 115.147 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 80.2 p -81.05 14.04 2.47 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.847 2.059 . . . . 0.0 114.454 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -60.48 151.29 28.75 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.815 1.646 . . . . 0.0 114.433 -174.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -79.58 48.75 0.95 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.31 1.844 . . . . 0.0 113.76 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.51 -22.76 20.21 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.39 5.55 41.64 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -173.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' B' ' 109' ' ' LEU . 0.6 OUTLIER -58.92 158.22 17.5 Favored Pre-proline 0 CA--C 1.557 1.212 0 C-N-CA 125.949 1.7 . . . . 0.0 112.916 171.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.1 166.3 23.52 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.684 2.923 . . . . 0.0 114.519 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 20.7 tt -56.23 -38.36 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.991 1.716 . . . . 0.0 114.327 -173.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -67.95 -28.92 67.88 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.458 -0.776 . . . . 0.0 112.534 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -78.95 -54.87 5.6 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.679 0.792 . . . . 0.0 111.387 175.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.9 pp -61.56 -32.93 73.03 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.845 -1.16 . . . . 0.0 112.955 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 31.5 t -68.61 -27.18 65.8 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.906 1.282 . . . . 0.0 113.128 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.15 -30.23 21.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.384 1.074 . . . . 0.0 113.194 169.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.27 -41.03 97.1 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.356 -0.84 . . . . 0.0 111.586 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -59.59 -39.4 84.03 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.535 1.061 . . . . 0.0 111.962 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -68.98 -40.22 78.94 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.807 1.243 . . . . 0.0 112.359 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.1 -31.82 72.55 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -70.78 -30.35 66.8 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 120.814 -1.179 . . . . 0.0 112.939 169.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 32.6 mtt -78.02 -5.22 50.65 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.18 1.392 . . . . 0.0 113.261 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.48 6.05 64.61 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 126.09 1.805 . . . . 0.0 116.032 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -78.9 168.77 19.22 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.986 1.315 . . . . 0.0 112.173 173.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -70.84 -30.99 67.55 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.392 -1.443 . . . . 0.0 114.433 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 156.6 -75.65 0.21 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.352 0.977 . . . . 0.0 113.676 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 73.45 -75.43 1.01 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.655 1.121 . . . . 0.0 113.989 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.35 -1.32 71.42 Favored Glycine 0 CA--C 1.541 1.686 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 175.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 35.7 t -81.35 131.07 35.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.185 1.493 . . . . 0.0 111.083 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -174.67 -24.57 0.03 OUTLIER Glycine 0 CA--C 1.543 1.82 0 C-N-CA 127.543 2.497 . . . . 0.0 115.074 -3.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.65 -147.6 45.48 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 118.632 1.216 . . . . 0.0 113.868 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.12 -70.26 3.15 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.857 1.218 . . . . 0.0 113.286 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 71.4 m -69.1 146.17 52.79 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.394 0.678 . . . . 0.0 111.442 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -40.5 80.39 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.206 1.002 . . . . 0.0 112.976 -172.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -67.97 -26.57 65.99 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -80.72 -42.77 21.35 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.64 -1.287 . . . . 0.0 112.243 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 11.0 tt -61.32 -38.89 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.168 0.894 . . . . 0.0 111.203 170.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.78 -51.18 71.08 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.967 0.803 . . . . 0.0 111.921 172.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -62.3 -48.28 80.59 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.722 0.692 . . . . 0.0 112.659 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.36 -44.54 97.0 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.966 0.803 . . . . 0.0 111.326 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.3 tp -72.79 -34.57 67.01 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.98 75.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.192 0.997 . . . . 0.0 113.394 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -63.76 -46.58 84.65 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.884 1.274 . . . . 0.0 111.75 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 70.1 m -65.51 -41.96 92.62 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.556 0.742 . . . . 0.0 112.863 172.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.14 -39.96 92.01 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.264 0.938 . . . . 0.0 112.321 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 85.4 m -61.18 -42.32 98.36 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.325 -0.859 . . . . 0.0 111.734 173.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -69.54 -32.95 72.07 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.1 -51.76 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.406 1.003 . . . . 0.0 109.915 168.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.06 -40.19 94.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.379 1.072 . . . . 0.0 112.573 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -58.82 -49.36 77.99 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.528 1.131 . . . . 0.0 111.836 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.23 -39.22 82.39 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -60.1 -45.4 93.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.363 0.665 . . . . 0.0 112.319 172.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.34 98.91 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.768 0.713 . . . . 0.0 112.29 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.35 87.9 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.454 0.701 . . . . 0.0 112.835 176.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -65.86 -42.32 90.58 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.641 0.777 . . . . 0.0 111.707 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -64.63 -39.55 93.9 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.844 -1.16 . . . . 0.0 112.395 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.0 83.79 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.713 0.805 . . . . 0.0 112.706 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.99 -30.71 68.11 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.667 0.667 . . . . 0.0 112.326 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.29 -42.1 93.45 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.402 1.001 . . . . 0.0 112.298 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -74.1 -29.83 62.04 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 176.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -72.21 -31.77 66.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.096 0.958 . . . . 0.0 113.314 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -103.26 16.86 25.47 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.508 1.923 . . . . 0.0 113.896 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 46.7 ttt85 -72.71 60.84 0.51 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 128.055 2.542 . . . . 0.0 114.228 -172.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 125.391 1.477 . . . . 0.0 113.218 171.314 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.446 0 CA-C-O 118.764 -1.02 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -69.41 163.6 37.36 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 124.077 3.185 . . . . 0.0 112.843 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.74 -138.74 46.6 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.373 0.987 . . . . 0.0 113.715 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p -75.48 44.54 0.27 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.495 1.918 . . . . 0.0 113.33 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 62.98 172.48 0.15 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 128.032 2.533 . . . . 0.0 114.905 -173.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -68.72 170.64 9.04 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.194 0.997 . . . . 0.0 111.929 166.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 67.48 131.8 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 127.95 2.5 . . . . 0.0 115.527 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.62 21.88 2.78 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.902 2.081 . . . . 0.0 115.918 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.3 148.5 98.73 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.517 1.127 . . . . 0.0 111.307 174.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -70.45 162.12 43.58 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.782 2.322 . . . . 0.0 112.389 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.6 tt -61.35 -28.55 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -63.34 -35.65 81.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.423 0.689 . . . . 0.0 112.182 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -74.2 -48.91 25.91 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.827 0.851 . . . . 0.0 112.037 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.27 -31.91 71.7 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.218 0.917 . . . . 0.0 112.349 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.9 t -62.35 -45.39 93.42 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.824 0.85 . . . . 0.0 112.088 167.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.33 -35.89 81.88 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.834 -1.166 . . . . 0.0 112.661 174.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.9 -46.18 79.27 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.241 -0.912 . . . . 0.0 112.096 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' B' ' 145' ' ' LEU . 1.5 pp -64.1 -36.05 82.77 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.223 1.374 . . . . 0.0 112.183 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -65.75 -45.98 80.54 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.455 1.102 . . . . 0.0 111.641 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -68.69 -35.54 77.32 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.369 1.067 . . . . 0.0 113.398 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -66.24 -27.44 67.97 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.052 -1.03 . . . . 0.0 113.389 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.4 mtt -86.47 -5.41 59.16 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.698 1.199 . . . . 0.0 113.925 171.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.42 18.5 79.11 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.943 1.259 . . . . 0.0 114.791 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -71.52 156.64 39.2 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.904 1.352 . . . . 0.0 113.205 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.28 -29.15 68.67 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -170.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.75 -168.24 40.53 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 115.098 0.799 . . . . 0.0 115.098 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.5 -176.1 28.25 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.468 1.509 . . . . 0.0 114.765 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.23 168.11 40.25 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.656 1.122 . . . . 0.0 113.983 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.8 m -67.04 154.81 40.28 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.739 1.216 . . . . 0.0 113.72 -176.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.34 160.34 32.98 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.81 1.671 . . . . 0.0 112.408 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.83 -0.54 25.77 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.198 1.38 . . . . 0.0 114.891 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.63 22.17 78.66 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 118.222 1.011 . . . . 0.0 113.217 -169.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.7 t -68.62 158.98 32.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.529 1.132 . . . . 0.0 112.362 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 tpt -63.12 -21.69 66.35 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.86 0.864 . . . . 0.0 112.741 169.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -74.64 -39.57 62.01 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.895 0.878 . . . . 0.0 112.191 170.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -64.66 -42.2 95.57 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.424 0.69 . . . . 0.0 111.686 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.16 -42.7 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.353 0.661 . . . . 0.0 112.364 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -62.33 -43.38 98.96 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.248 0.931 . . . . 0.0 111.599 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.28 -52.09 66.18 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.358 0.663 . . . . 0.0 112.203 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.29 -41.68 98.71 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.435 0.694 . . . . 0.0 112.433 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.7 tp -77.31 -34.33 55.41 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.656 -0.652 . . . . 0.0 112.39 -174.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.44 77.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.899 0.88 . . . . 0.0 112.65 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -56.49 -46.36 80.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.999 1.72 . . . . 0.0 110.904 174.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -64.42 -46.62 82.41 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 173.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.65 -40.71 95.88 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.914 0.886 . . . . 0.0 112.672 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.3 m -61.46 -38.35 86.92 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.263 -0.898 . . . . 0.0 111.849 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.06 -32.71 74.08 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.161 -0.962 . . . . 0.0 113.297 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.26 -47.98 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.356 0.662 . . . . 0.0 109.971 172.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.29 -39.09 93.22 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.644 1.178 . . . . 0.0 112.802 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -58.85 -47.56 84.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.216 1.006 . . . . 0.0 111.862 172.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.11 -46.85 82.36 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.333 0.653 . . . . 0.0 111.624 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.15 -40.75 97.03 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.694 0.798 . . . . 0.0 112.72 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.82 88.74 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.556 0.616 . . . . 0.0 112.019 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.57 -47.6 75.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.659 0.784 . . . . 0.0 112.183 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -57.69 -48.51 79.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.348 1.459 . . . . 0.0 111.559 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -64.27 -42.14 96.59 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.616 0.766 . . . . 0.0 112.333 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.54 -42.0 59.59 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -174.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.475 HD11 HD11 ' B' ' 158' ' ' LEU . 0.7 OUTLIER -66.78 -28.19 68.19 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -176.069 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.46 -25.02 67.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.892 0.877 . . . . 0.0 113.177 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -89.1 -39.72 13.43 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.079 0.952 . . . . 0.0 112.439 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.2 -23.71 64.21 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -173.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -96.8 2.02 51.39 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.287 1.835 . . . . 0.0 114.259 -175.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 -132.91 3.59 3.76 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.702 1.601 . . . . 0.0 114.988 -175.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 . . . . . 0 C--O 1.255 1.395 0 C-N-CA 125.243 1.417 . . . . 0.0 112.911 -167.103 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -58.84 156.63 32.1 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 124.32 3.347 . . . . 0.0 114.62 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.77 14.94 79.63 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.185 0.898 . . . . 0.0 115.08 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 77.7 p -69.98 156.95 38.38 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.892 1.677 . . . . 0.0 113.554 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 61.38 171.79 0.11 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 127.359 2.264 . . . . 0.0 116.315 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 48.8 p-10 -73.22 -179.94 3.59 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.826 1.25 . . . . 0.0 111.589 163.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . 62.76 3.32 1.14 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.981 2.112 . . . . 0.0 116.523 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -140.67 24.97 2.2 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.63 1.572 . . . . 0.0 113.35 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 pp -59.81 147.52 78.61 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.347 1.059 . . . . 0.0 111.004 170.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -73.03 164.82 34.48 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.282 2.655 . . . . 0.0 112.586 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.8 tt -58.63 -29.52 39.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -63.77 -36.37 83.66 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.425 0.69 . . . . 0.0 112.515 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -72.95 -49.92 26.49 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.302 0.641 . . . . 0.0 111.815 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.31 -32.17 73.42 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.223 0.92 . . . . 0.0 112.384 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 17.7 t -61.0 -47.98 83.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.196 0.998 . . . . 0.0 112.371 168.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.2 -33.97 77.26 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.134 -0.979 . . . . 0.0 112.365 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.17 -52.9 52.18 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.29 1.036 . . . . 0.0 111.828 174.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.68 -33.57 76.26 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.618 1.554 . . . . 0.0 112.62 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 47.1 mtm105 -68.74 -43.38 75.99 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.075 0.852 . . . . 0.0 112.897 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.39 -26.68 60.25 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.733 1.151 . . . . 0.0 112.825 176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -67.64 -37.46 82.48 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.052 -1.03 . . . . 0.0 112.519 169.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 73.3 mtm -74.59 -15.91 60.82 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 169.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.9 30.44 65.77 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.345 0.974 . . . . 0.0 114.192 -175.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -64.9 153.78 39.31 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.554 1.142 . . . . 0.0 113.692 -178.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.31 -9.98 59.05 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -171.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.92 -141.3 6.1 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 121.31 -0.868 . . . . 0.0 114.961 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.01 147.33 50.14 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.047 1.308 . . . . 0.0 114.15 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -85.95 174.99 48.24 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.608 1.099 . . . . 0.0 114.602 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 48.8 m -80.41 27.31 0.35 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.212 1.405 . . . . 0.0 113.47 174.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -71.21 159.62 53.91 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.322 1.439 . . . . 0.0 115.332 -174.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 155.91 -170.63 33.73 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.12 1.343 . . . . 0.0 113.155 -176.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -86.48 -11.22 72.13 Favored Glycine 0 CA--C 1.544 1.864 0 N-CA-C 116.102 1.201 . . . . 0.0 116.102 -174.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 49.5 m -84.99 155.66 21.47 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.437 1.619 . . . . 0.0 112.907 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -36.13 73.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.824 1.25 . . . . 0.0 112.681 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -64.16 -29.48 70.59 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.179 -0.95 . . . . 0.0 112.909 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -75.08 -43.84 50.83 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.96 0.904 . . . . 0.0 111.473 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 12.7 tt -66.92 -38.84 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.101 0.96 . . . . 0.0 112.088 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -56.24 -42.97 78.2 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.122 0.874 . . . . 0.0 111.473 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.73 -56.07 15.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.731 0.812 . . . . 0.0 111.893 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.46 -44.53 96.18 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.474 -0.766 . . . . 0.0 112.479 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.48 -36.53 71.18 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.208 0.603 . . . . 0.0 112.479 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.22 85.89 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -61.15 -50.76 71.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.496 0.718 . . . . 0.0 112.111 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 10.3 t -60.5 -40.2 90.48 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.9 tm? -62.22 -43.11 99.58 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.43 1.092 . . . . 0.0 112.512 172.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.1 m -61.35 -35.89 78.69 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.928 -1.107 . . . . 0.0 112.156 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -68.49 -32.88 73.16 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.448 -0.782 . . . . 0.0 112.764 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.3 -51.55 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 119.498 1.045 . . . . 0.0 109.84 170.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.36 -41.98 81.18 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.946 0.898 . . . . 0.0 111.822 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -63.16 -48.39 78.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.66 1.184 . . . . 0.0 112.192 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.15 -36.32 74.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -62.12 -43.15 99.46 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.751 0.705 . . . . 0.0 111.195 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.22 98.21 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.366 0.666 . . . . 0.0 112.585 174.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.85 96.9 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.524 0.73 . . . . 0.0 112.688 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -63.08 -43.26 99.03 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.41 1.084 . . . . 0.0 111.246 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -65.15 -36.32 83.87 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.859 0.864 . . . . 0.0 113.17 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.74 -43.84 52.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.959 0.904 . . . . 0.0 113.248 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 158' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 58' ' ' LEU . 2.3 pp -65.82 -28.39 68.96 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.213 -0.929 . . . . 0.0 112.33 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.2 -18.72 61.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.364 1.066 . . . . 0.0 113.301 172.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -93.81 -43.79 8.43 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.695 1.198 . . . . 0.0 111.171 170.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -68.09 -33.72 75.07 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -173.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -81.17 -6.21 58.58 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 36.7 ttm-85 -76.47 -7.1 54.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.704 2.002 . . . . 0.0 115.7 -171.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.242 1.817 . . . . 0.0 112.467 177.663 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.67 -24.31 25.66 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 123.912 3.075 . . . . 0.0 114.111 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.22 -158.94 27.86 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.947 1.26 . . . . 0.0 113.003 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.8 p -144.22 113.73 7.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.283 1.833 . . . . 0.0 109.461 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 63.5 171.29 0.16 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 131.211 3.804 . . . . 0.0 114.905 4.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -75.39 70.14 2.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.958 1.703 . . . . 0.0 113.026 -170.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.65 113.45 7.49 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.19 1.396 . . . . 0.0 111.568 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 50.55 29.35 3.98 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.112 2.165 . . . . 0.0 115.992 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.81 152.42 86.77 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.997 0.919 . . . . 0.0 112.448 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.72 167.64 22.35 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.527 2.818 . . . . 0.0 113.818 -169.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.5 tt -59.44 -35.96 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -66.16 -27.69 68.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.797 0.839 . . . . 0.0 112.798 175.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.5 -52.73 6.93 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.437 0.695 . . . . 0.0 112.014 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.13 -33.87 76.4 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.306 1.412 . . . . 0.0 113.234 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -68.49 -27.41 66.12 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.913 1.285 . . . . 0.0 113.417 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.89 -36.94 23.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.308 1.043 . . . . 0.0 112.168 170.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.63 -40.85 97.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.302 1.041 . . . . 0.0 112.157 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.32 -34.11 77.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.034 1.288 . . . . 0.0 112.649 176.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -70.08 -41.0 74.68 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.046 0.939 . . . . 0.0 111.543 172.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.15 -35.12 79.74 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.094 1.358 . . . . 0.0 112.744 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.43 -27.11 65.91 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.191 -0.943 . . . . 0.0 113.095 171.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.1 mtt -80.55 -6.88 58.89 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.882 1.273 . . . . 0.0 113.125 168.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.98 1.98 62.81 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.744 1.64 . . . . 0.0 115.656 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -87.05 74.51 9.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.229 1.412 . . . . 0.0 109.948 169.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -60.34 -26.39 66.54 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -165.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.5 -13.86 83.01 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.537 1.065 . . . . 0.0 115.377 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.53 -140.48 47.42 Favored Glycine 0 CA--C 1.541 1.675 0 CA-C-N 118.867 1.333 . . . . 0.0 113.577 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.82 -168.41 34.41 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.326 0.965 . . . . 0.0 113.731 174.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 t -69.62 161.46 29.6 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.267 1.027 . . . . 0.0 112.161 171.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.64 166.6 31.43 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.451 1.024 . . . . 0.0 114.348 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.82 8.85 64.76 Favored Glycine 0 CA--C 1.539 1.578 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.2 -0.25 88.62 Favored Glycine 0 CA--C 1.543 1.842 0 CA-C-N 118.821 1.31 . . . . 0.0 115.65 -174.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.8 t -155.47 159.77 40.06 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.786 2.034 . . . . 0.0 110.629 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.6 -31.37 66.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.694 0.797 . . . . 0.0 112.801 169.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -72.35 -27.14 62.22 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 173.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -79.26 -49.31 12.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.853 0.861 . . . . 0.0 111.588 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.2 tt -61.1 -38.13 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.028 0.931 . . . . 0.0 112.412 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.97 -43.59 94.98 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.188 0.904 . . . . 0.0 111.853 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -70.97 -45.71 63.61 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.732 -0.605 . . . . 0.0 112.117 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.41 -43.06 82.17 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.078 1.351 . . . . 0.0 113.101 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.45 -35.8 68.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.731 0.812 . . . . 0.0 111.879 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.92 83.34 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 172.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -59.97 -47.5 85.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.19 0.996 . . . . 0.0 111.709 171.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 t -60.46 -42.95 97.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.519 0.728 . . . . 0.0 111.958 175.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.7 -42.13 99.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.402 1.081 . . . . 0.0 113.012 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.9 m -61.79 -39.28 91.14 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.058 -1.026 . . . . 0.0 112.552 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -65.23 -30.18 71.04 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.964 -1.085 . . . . 0.0 113.043 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.01 -48.79 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.247 -0.908 . . . . 0.0 110.133 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -64.05 -37.09 86.18 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.408 1.083 . . . . 0.0 112.382 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -61.32 -43.39 98.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.387 1.075 . . . . 0.0 112.424 174.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.71 -45.91 77.24 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.959 0.504 . . . . 0.0 111.703 175.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.98 -36.41 83.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.524 0.73 . . . . 0.0 112.954 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.44 94.17 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.108 0.867 . . . . 0.0 112.04 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.31 84.81 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.604 0.762 . . . . 0.0 112.889 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -64.61 -43.58 93.29 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.441 1.097 . . . . 0.0 111.262 177.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.53 -35.94 82.35 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.79 -1.194 . . . . 0.0 112.754 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.07 85.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.967 0.907 . . . . 0.0 112.953 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.69 -37.31 56.35 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.193 0.906 . . . . 0.0 111.966 176.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.18 -41.7 97.25 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.773 1.169 . . . . 0.0 113.024 -174.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -72.93 -21.85 60.82 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.4 -42.87 9.53 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.745 1.218 . . . . 0.0 113.113 -178.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -84.27 -0.07 50.96 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.345 1.858 . . . . 0.0 114.554 -169.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -70.74 -4.99 26.63 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.889 2.076 . . . . 0.0 116.182 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 . . . . . 0 N--CA 1.484 1.259 0 C-N-CA 127.061 2.144 . . . . 0.0 112.496 176.222 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 CA-C-O 119.413 -0.659 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.38 156.29 41.91 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.915 3.076 . . . . 0.0 114.651 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.41 13.34 11.35 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.248 1.404 . . . . 0.0 115.319 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 20.3 m -58.3 133.59 55.82 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.327 1.451 . . . . 0.0 113.707 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -75.13 170.39 16.13 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.141 1.376 . . . . 0.0 112.895 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -72.1 4.98 3.02 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.253 1.421 . . . . 0.0 114.834 174.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -134.73 129.14 34.24 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.678 1.591 . . . . 0.0 110.318 -164.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 59.03 22.81 10.89 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.861 1.665 . . . . 0.0 115.143 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.63 159.61 41.75 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.548 1.539 . . . . 0.0 111.157 165.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -58.85 152.16 59.5 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.101 2.534 . . . . 0.0 113.956 -173.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 14.7 tt -64.68 -29.45 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -169.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -67.11 -31.79 72.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.574 0.75 . . . . 0.0 112.085 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -74.33 -49.25 23.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.059 0.944 . . . . 0.0 111.752 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.54 -32.5 73.32 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.498 -0.751 . . . . 0.0 112.731 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 28.2 t -63.53 -45.66 89.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.279 0.632 . . . . 0.0 111.976 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.82 77.31 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.319 -1.488 . . . . 0.0 112.848 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.7 mp -63.73 -48.21 77.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.635 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.98 -34.57 78.04 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.261 1.391 . . . . 0.0 112.526 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -61.71 -50.67 71.49 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.608 0.763 . . . . 0.0 111.34 171.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -66.7 -33.7 76.21 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -62.14 -33.29 74.2 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.238 0.926 . . . . 0.0 112.593 172.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 23.6 mtt -89.03 1.45 55.52 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.018 1.327 . . . . 0.0 113.439 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.68 18.37 73.9 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.569 1.08 . . . . 0.0 114.079 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -71.29 132.1 44.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.856 1.262 . . . . 0.0 111.594 -176.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.94 -18.55 62.0 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.738 1.215 . . . . 0.0 113.04 174.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.9 151.62 51.21 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.732 1.158 . . . . 0.0 113.552 175.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -156.19 37.53 0.6 Allowed Glycine 0 N--CA 1.473 1.14 0 C-N-CA 124.505 1.05 . . . . 0.0 113.741 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.16 164.03 33.35 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.529 1.062 . . . . 0.0 114.443 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 78.2 p -146.71 160.48 42.17 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.798 1.639 . . . . 0.0 112.439 -172.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 70.14 -143.95 38.64 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.26 0.933 . . . . 0.0 113.519 -178.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 74.5 -165.62 54.77 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.139 0.876 . . . . 0.0 113.323 -172.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 149.63 1.4 0.36 Allowed Glycine 0 CA--C 1.536 1.346 0 N-CA-C 115.729 1.052 . . . . 0.0 115.729 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 83.7 p -74.07 165.12 25.7 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.749 1.275 . . . . 0.0 112.031 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -33.92 68.92 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -172.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.57 -27.74 64.36 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.269 -0.894 . . . . 0.0 113.208 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -72.54 -48.35 40.97 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.088 -1.007 . . . . 0.0 110.86 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.2 tt -65.48 -40.61 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.06 0.944 . . . . 0.0 111.856 176.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -58.71 -50.14 74.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.797 1.18 . . . . 0.0 111.648 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.67 -50.64 70.39 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.803 0.728 . . . . 0.0 112.078 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.58 -43.87 92.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.048 0.84 . . . . 0.0 112.432 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.3 tp -75.95 -30.99 58.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.397 0.679 . . . . 0.0 112.205 -175.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.53 -42.04 75.18 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.458 -0.776 . . . . 0.0 112.21 170.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.86 -46.54 88.99 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.697 1.599 . . . . 0.0 112.049 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 53.6 p -68.2 -39.45 82.46 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.058 0.943 . . . . 0.0 112.999 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.45 -39.78 94.49 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.008 0.822 . . . . 0.0 112.13 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 85.5 m -63.72 -38.22 90.29 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.376 -0.827 . . . . 0.0 111.41 175.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -66.77 -33.8 76.43 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.179 -0.951 . . . . 0.0 113.267 175.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.41 -52.49 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 119.691 1.132 . . . . 0.0 110.009 168.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -58.33 -42.42 86.74 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.744 0.817 . . . . 0.0 111.903 -178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -61.15 -46.48 90.38 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.792 0.837 . . . . 0.0 112.771 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.09 -38.39 72.4 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -62.77 -43.15 99.56 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.294 0.638 . . . . 0.0 111.494 173.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.2 94.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.788 0.835 . . . . 0.0 113.088 174.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.8 -42.88 90.13 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.848 0.859 . . . . 0.0 112.607 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -63.36 -40.3 96.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.984 0.914 . . . . 0.0 111.447 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -66.47 -41.02 89.63 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.069 -1.019 . . . . 0.0 112.991 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.97 83.78 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.129 -0.982 . . . . 0.0 112.664 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.62 -28.41 65.9 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.628 -0.67 . . . . 0.0 112.466 176.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.49 -45.42 79.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.841 0.746 . . . . 0.0 111.09 173.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -63.42 -36.69 84.56 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.585 0.754 . . . . 0.0 112.6 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -69.13 -12.95 62.13 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -129.79 22.35 5.42 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.314 1.845 . . . . 0.0 112.933 -174.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -77.91 -15.81 58.72 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 127.025 2.13 . . . . 0.0 113.108 -169.498 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 CA-C-O 119.645 -0.531 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -58.99 152.25 59.87 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 124.622 3.548 . . . . 0.0 114.618 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.32 17.88 77.84 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.098 0.856 . . . . 0.0 114.941 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 p -62.37 138.49 58.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.702 1.201 . . . . 0.0 113.014 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.15 164.44 15.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.855 1.262 . . . . 0.0 112.87 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 56.19 28.46 13.17 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.633 1.973 . . . . 0.0 115.179 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.3 104.84 7.02 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.2 1.4 . . . . 0.0 112.503 -173.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.5 34.06 17.51 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.116 1.766 . . . . 0.0 114.977 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.91 154.23 77.12 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.91 1.284 . . . . 0.0 113.008 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.17 162.11 39.89 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.275 2.65 . . . . 0.0 113.104 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.11 -28.59 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -172.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -62.12 -35.07 77.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.487 0.715 . . . . 0.0 112.174 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -77.57 -50.62 12.18 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.704 0.802 . . . . 0.0 112.207 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.41 -32.57 74.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.472 1.033 . . . . 0.0 112.526 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.3 m -70.86 -33.84 71.04 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.041 0.536 . . . . 0.0 112.181 173.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.72 -35.5 72.75 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.167 -0.958 . . . . 0.0 112.865 170.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.44 -50.36 71.8 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.212 0.914 . . . . 0.0 111.527 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.28 -35.98 82.59 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.784 1.174 . . . . 0.0 112.71 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -67.56 -41.19 84.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.985 0.914 . . . . 0.0 112.244 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -70.64 -35.41 72.89 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.893 0.877 . . . . 0.0 112.898 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.94 -31.77 72.88 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.879 -1.138 . . . . 0.0 112.891 173.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.3 mtt -80.17 -7.38 58.92 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.397 1.079 . . . . 0.0 113.817 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.6 26.64 60.62 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.686 1.136 . . . . 0.0 114.735 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.21 159.22 26.9 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.721 1.26 . . . . 0.0 113.448 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -69.41 -12.44 61.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.674 1.19 . . . . 0.0 113.866 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -166.63 159.68 33.08 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.799 1.19 . . . . 0.0 112.922 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.8 -163.65 27.97 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.672 1.606 . . . . 0.0 114.905 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.28 -172.62 52.66 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.244 1.402 . . . . 0.0 115.096 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.4 p -157.04 171.94 19.56 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.107 1.763 . . . . 0.0 111.293 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.66 -175.61 33.87 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.455 1.026 . . . . 0.0 113.042 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.2 -134.41 23.03 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 123.845 0.736 . . . . 0.0 112.855 -175.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 157.26 5.85 0.07 OUTLIER Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.885 1.231 . . . . 0.0 115.423 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.1 p -74.44 169.06 18.47 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 118.672 1.236 . . . . 0.0 112.323 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -33.88 69.08 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.195 0.598 . . . . 0.0 112.275 171.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -68.16 -33.67 74.89 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.346 -0.846 . . . . 0.0 112.95 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -67.33 -47.83 69.32 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.577 -0.702 . . . . 0.0 111.786 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 tt -67.2 -39.23 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.457 0.703 . . . . 0.0 112.409 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.29 -48.37 80.69 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.109 0.868 . . . . 0.0 111.765 174.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.59 -50.65 68.58 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.313 0.506 . . . . 0.0 112.245 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.9 -46.6 89.98 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.752 0.706 . . . . 0.0 112.426 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.2 tp -74.84 -35.04 62.4 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.892 -0.505 . . . . 0.0 112.254 -173.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.58 85.19 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.465 -0.772 . . . . 0.0 112.765 170.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.51 -45.49 92.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.108 1.363 . . . . 0.0 111.631 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -60.16 -45.46 92.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.537 0.735 . . . . 0.0 112.521 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.05 -44.25 97.09 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.062 0.945 . . . . 0.0 112.7 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.1 m -60.22 -36.71 78.3 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.05 -1.032 . . . . 0.0 112.353 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -67.22 -32.91 74.27 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.262 -0.899 . . . . 0.0 112.778 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.51 -50.68 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 119.111 0.869 . . . . 0.0 110.069 172.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.23 -38.41 90.96 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.358 1.063 . . . . 0.0 112.21 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -59.68 -47.07 87.1 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.249 1.02 . . . . 0.0 111.939 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.46 -45.34 84.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.373 0.669 . . . . 0.0 112.142 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.02 -40.18 94.48 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.913 0.778 . . . . 0.0 112.886 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.41 -45.96 92.15 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.314 0.646 . . . . 0.0 111.805 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.53 81.44 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.342 0.657 . . . . 0.0 112.476 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -61.4 -44.74 96.62 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.859 1.264 . . . . 0.0 111.891 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.44 -45.26 91.69 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.197 0.599 . . . . 0.0 111.856 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.6 80.08 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.61 -0.682 . . . . 0.0 112.634 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.11 -33.89 76.45 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -68.99 -37.88 78.98 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.374 0.988 . . . . 0.0 112.077 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -72.82 -35.17 67.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.713 0.805 . . . . 0.0 112.759 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.92 74.48 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.421 -0.8 . . . . 0.0 112.976 176.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -96.3 13.06 28.86 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.919 1.688 . . . . 0.0 114.127 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -67.26 -13.16 61.72 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.424 1.89 . . . . 0.0 115.453 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 127.155 2.182 . . . . 0.0 112.222 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.443 0 CA-C-O 119.372 -0.682 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -60.56 149.0 89.26 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 124.189 3.259 . . . . 0.0 113.818 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.41 31.76 0.12 Allowed Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.144 0.878 . . . . 0.0 114.108 -176.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 24.5 m -70.48 152.12 44.37 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.871 1.268 . . . . 0.0 112.985 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -138.48 151.89 47.8 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.813 1.645 . . . . 0.0 111.306 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -80.94 40.17 0.52 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.674 1.589 . . . . 0.0 113.004 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.88 -14.11 18.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.531 1.532 . . . . 0.0 114.031 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.85 59.99 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -173.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.436 ' H ' ' HG ' ' B' ' 109' ' ' LEU . 1.3 pp -58.78 153.66 41.17 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 125.984 1.714 . . . . 0.0 112.437 169.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -62.81 151.96 81.23 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.423 2.749 . . . . 0.0 112.407 -175.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 9.6 tt -62.35 -27.71 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -64.6 -27.95 69.29 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.267 -0.896 . . . . 0.0 113.386 174.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.17 -51.26 12.5 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.35 0.977 . . . . 0.0 111.972 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.47 -31.33 72.49 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.114 -0.991 . . . . 0.0 112.192 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 49.1 m -70.48 -41.4 72.77 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.383 0.673 . . . . 0.0 112.331 171.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.98 74.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.977 -1.077 . . . . 0.0 112.322 174.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.89 -49.99 66.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.356 1.062 . . . . 0.0 111.961 173.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.7 -34.84 77.68 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.115 1.325 . . . . 0.0 112.762 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -63.9 -46.56 84.29 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 118.558 -0.734 . . . . 0.0 112.48 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.05 -26.12 61.18 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.019 0.827 . . . . 0.0 113.101 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.4 -28.36 69.73 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.285 -0.884 . . . . 0.0 113.256 168.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 74.1 mtm -105.2 2.33 29.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.552 1.541 . . . . 0.0 114.255 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.19 27.97 73.51 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.352 0.977 . . . . 0.0 114.345 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -75.49 63.34 1.48 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.965 1.706 . . . . 0.0 112.171 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 56.41 32.63 20.98 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.563 1.945 . . . . 0.0 113.845 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 83.26 -141.06 20.38 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.717 1.151 . . . . 0.0 111.815 -173.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.74 173.73 54.97 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 123.953 0.787 . . . . 0.0 114.238 174.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 174.48 164.03 28.73 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 124.982 1.277 . . . . 0.0 112.92 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 78.2 p -65.29 163.63 15.04 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -175.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.84 -137.72 4.51 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.626 1.584 . . . . 0.0 113.401 173.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -171.54 -165.95 29.56 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.626 1.108 . . . . 0.0 112.889 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -163.14 -14.61 0.03 OUTLIER Glycine 0 CA--C 1.534 1.251 0 N-CA-C 116.623 1.409 . . . . 0.0 116.623 -177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 30.9 t -74.74 159.18 32.34 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.556 1.678 . . . . 0.0 111.373 168.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -36.64 72.27 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.333 1.053 . . . . 0.0 112.881 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -22.8 63.16 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 175.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.87 -49.25 18.46 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.359 0.982 . . . . 0.0 110.379 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.7 tt -67.11 -40.78 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.639 1.175 . . . . 0.0 112.003 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.62 -36.44 78.63 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.235 0.925 . . . . 0.0 111.989 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -73.06 -58.28 3.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.007 0.821 . . . . 0.0 112.361 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.06 -43.58 98.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.689 0.796 . . . . 0.0 113.13 -173.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 21.0 tp -75.26 -23.74 57.52 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.896 0.879 . . . . 0.0 112.921 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -81.19 -37.13 29.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.922 0.889 . . . . 0.0 113.315 168.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -59.69 -51.85 68.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.071 1.349 . . . . 0.0 111.147 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 44.5 p -62.51 -39.36 93.26 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.147 0.979 . . . . 0.0 112.714 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.32 -39.69 91.45 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.034 -1.041 . . . . 0.0 112.331 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 97.0 m -60.93 -35.74 77.5 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.005 -1.059 . . . . 0.0 112.016 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.44 -31.84 67.67 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.993 -1.067 . . . . 0.0 113.143 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 78.9 mt -58.82 -52.89 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.657 1.117 . . . . 0.0 109.451 169.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -57.59 -42.58 83.47 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.196 0.999 . . . . 0.0 112.48 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -60.05 -48.88 79.89 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.103 0.961 . . . . 0.0 112.486 177.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.42 -35.35 60.99 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -60.97 -43.92 98.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.365 0.529 . . . . 0.0 111.551 171.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.82 98.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.412 0.685 . . . . 0.0 112.499 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.61 94.14 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.611 0.764 . . . . 0.0 112.904 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -66.08 -41.5 90.62 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.806 0.842 . . . . 0.0 111.181 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.12 -35.86 82.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.664 -1.273 . . . . 0.0 113.009 176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.92 75.11 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.068 0.947 . . . . 0.0 113.515 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.0 pp -77.55 -34.27 53.85 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.808 0.731 . . . . 0.0 112.465 176.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.43 -40.5 93.39 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.019 -1.05 . . . . 0.0 112.226 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -74.76 -20.23 59.89 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -83.55 -45.23 13.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.377 1.071 . . . . 0.0 112.683 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -70.19 -14.64 62.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -173.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -75.95 -11.62 59.99 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 126.283 1.833 . . . . 0.0 113.11 178.672 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -71.53 -18.34 29.41 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 124.054 3.169 . . . . 0.0 114.812 -177.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 178.53 -155.87 17.65 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.156 1.36 . . . . 0.0 112.779 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.9 t -139.91 132.91 29.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.997 1.319 . . . . 0.0 110.771 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -146.28 172.48 13.41 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.436 1.494 . . . . 0.0 112.322 -164.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -135.29 24.61 3.51 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.767 1.627 . . . . 0.0 113.078 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.22 96.16 5.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.422 1.489 . . . . 0.0 111.727 -168.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.5 30.36 10.48 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.471 1.908 . . . . 0.0 115.53 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 pp -60.84 146.49 86.78 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.021 0.928 . . . . 0.0 111.312 173.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.33 164.25 34.52 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.034 2.489 . . . . 0.0 112.35 -175.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 tt -53.41 -35.92 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.967 1.307 . . . . 0.0 113.822 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -65.46 -32.73 74.5 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.46 0.704 . . . . 0.0 112.297 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.61 -47.2 33.64 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.243 -0.911 . . . . 0.0 112.072 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.56 -31.03 70.82 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.62 1.1 . . . . 0.0 112.216 175.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.5 t -65.8 -46.86 77.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.399 0.68 . . . . 0.0 111.653 169.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.58 75.46 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.422 -1.424 . . . . 0.0 112.412 174.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.88 -52.38 56.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.201 1.0 . . . . 0.0 112.649 174.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.9 -32.16 73.51 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.526 1.512 . . . . 0.0 112.826 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -63.83 -48.1 78.15 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.071 0.948 . . . . 0.0 110.762 171.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.95 -37.51 85.02 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.659 1.184 . . . . 0.0 112.832 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -64.46 -30.96 71.99 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.362 -0.837 . . . . 0.0 112.71 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.1 mtm -87.26 4.15 43.82 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.302 1.441 . . . . 0.0 114.065 171.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.32 5.56 85.62 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.113 1.339 . . . . 0.0 115.524 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -76.66 148.58 36.78 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.282 1.433 . . . . 0.0 111.385 172.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -133.44 12.02 4.13 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.717 1.607 . . . . 0.0 113.98 -173.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.48 175.35 21.04 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 126.309 1.909 . . . . 0.0 112.327 172.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.63 -175.3 38.76 Favored Glycine 0 CA--C 1.544 1.844 0 O-C-N 121.712 -0.875 . . . . 0.0 114.815 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.12 -145.56 4.75 Favored Glycine 0 N--CA 1.474 1.232 0 C-N-CA 124.876 1.227 . . . . 0.0 112.811 -175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -68.18 -18.22 64.54 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.34 -9.68 19.58 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.353 1.454 . . . . 0.0 115.855 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.67 -8.08 27.99 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.542 1.544 . . . . 0.0 115.508 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.11 13.7 76.3 Favored Glycine 0 CA--C 1.544 1.894 0 N-CA-C 117.187 1.635 . . . . 0.0 117.187 170.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.9 m -72.21 161.93 30.17 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.435 1.618 . . . . 0.0 111.348 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.2 mmt -54.65 -34.97 63.0 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -176.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -71.39 -30.79 66.53 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 175.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -71.41 -45.46 62.66 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.044 0.938 . . . . 0.0 110.555 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.4 tt -69.45 -41.35 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.44 0.696 . . . . 0.0 111.736 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -58.83 -41.72 87.53 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.421 1.01 . . . . 0.0 112.267 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -71.21 -51.7 23.25 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.755 0.707 . . . . 0.0 111.768 176.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.46 -39.83 85.35 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.531 -0.731 . . . . 0.0 112.452 -172.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.6 tp -74.33 -27.07 60.52 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.503 1.121 . . . . 0.0 112.768 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.79 -31.99 63.54 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.314 -0.866 . . . . 0.0 112.16 168.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -64.13 -47.19 80.91 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.03 -1.044 . . . . 0.0 112.666 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.3 p -64.15 -39.84 94.89 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.415 0.686 . . . . 0.0 112.467 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.21 -44.88 92.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.438 1.017 . . . . 0.0 111.655 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.8 m -62.54 -32.26 73.18 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.264 -0.897 . . . . 0.0 112.052 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -67.78 -33.57 75.09 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.622 -1.299 . . . . 0.0 113.353 173.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.85 -46.66 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-N 119.023 0.829 . . . . 0.0 110.022 171.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -58.0 -46.19 85.62 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.332 1.053 . . . . 0.0 111.341 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -61.79 -42.84 99.51 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.578 1.151 . . . . 0.0 112.966 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.82 -48.73 80.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.578 0.751 . . . . 0.0 111.816 176.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.81 -35.51 77.08 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.76 0.824 . . . . 0.0 111.99 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.37 88.59 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.385 0.674 . . . . 0.0 112.424 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.0 96.62 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.47 -0.769 . . . . 0.0 112.704 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -62.61 -44.95 95.01 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.185 0.994 . . . . 0.0 111.275 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -63.87 -38.77 92.32 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.221 -0.925 . . . . 0.0 112.246 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.98 -47.87 67.35 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.375 0.67 . . . . 0.0 112.629 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.434 HD11 HD11 ' B' ' 158' ' ' LEU . 3.9 pp -67.06 -30.86 71.03 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.454 -0.779 . . . . 0.0 112.193 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.44 -16.8 63.06 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -96.95 -44.03 7.2 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.284 1.033 . . . . 0.0 111.804 168.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.08 71.21 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -73.19 -6.92 48.96 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -136.02 19.98 3.23 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.074 1.749 . . . . 0.0 113.979 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 . . . . . 0 C--O 1.255 1.343 0 C-N-CA 125.802 1.641 . . . . 0.0 113.327 177.16 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 CA-C-O 119.451 -0.638 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -66.7 152.91 79.67 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 124.031 3.154 . . . . 0.0 112.852 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.07 41.2 2.19 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.629 1.585 . . . . 0.0 114.493 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 25.4 m 55.4 40.18 31.32 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.064 1.746 . . . . 0.0 113.353 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -62.66 125.22 23.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.072 0.949 . . . . 0.0 111.801 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 55.56 24.03 6.57 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.393 1.877 . . . . 0.0 115.25 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.15 81.62 7.3 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.259 1.423 . . . . 0.0 113.254 -171.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.53 36.83 21.45 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.852 1.661 . . . . 0.0 114.222 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.66 150.73 85.88 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.175 1.39 . . . . 0.0 112.644 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.29 161.51 45.59 Favored 'Trans proline' 0 CA--C 1.535 0.525 0 C-N-CA 122.971 2.447 . . . . 0.0 113.122 -173.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.2 tt -61.15 -30.05 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.354 1.062 . . . . 0.0 113.838 -173.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -68.72 -29.55 67.99 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.518 -0.739 . . . . 0.0 112.821 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -78.49 -45.1 22.84 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.798 0.839 . . . . 0.0 112.497 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.94 -32.83 74.35 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.469 1.031 . . . . 0.0 111.718 173.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.7 t -62.8 -46.7 86.77 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.642 0.777 . . . . 0.0 111.805 168.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -34.93 75.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.848 -1.158 . . . . 0.0 112.889 175.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.3 mp -67.2 -49.89 62.92 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.894 0.878 . . . . 0.0 112.472 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.7 -35.07 79.7 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.357 1.435 . . . . 0.0 112.412 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -62.62 -43.91 97.62 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.218 1.007 . . . . 0.0 112.107 172.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.54 -38.41 89.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.025 1.33 . . . . 0.0 112.515 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -62.54 -37.08 84.7 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.961 -1.087 . . . . 0.0 113.291 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 71.8 mtm -83.76 -2.14 55.67 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 173.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.5 20.22 77.08 Favored Glycine 0 CA--C 1.537 1.422 0 N-CA-C 115.55 0.98 . . . . 0.0 115.55 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -70.94 140.94 51.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.863 1.331 . . . . 0.0 111.514 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -72.37 -35.46 68.48 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -175.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -97.65 117.6 5.85 Favored Glycine 0 N--CA 1.471 0.993 0 C-N-CA 124.477 1.037 . . . . 0.0 112.664 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.45 149.21 27.18 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.111 1.338 . . . . 0.0 112.883 171.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.21 169.47 9.62 Favored Glycine 0 CA--C 1.543 1.834 0 C-N-CA 124.373 0.987 . . . . 0.0 113.844 -171.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 69.2 m -142.41 162.52 35.26 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 128.231 2.612 . . . . 0.0 111.381 9.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -72.65 98.01 0.83 Allowed Glycine 0 CA--C 1.533 1.196 0 C-N-CA 123.507 0.575 . . . . 0.0 112.679 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.63 -26.69 70.93 Favored Glycine 0 CA--C 1.536 1.363 0 N-CA-C 114.724 0.65 . . . . 0.0 114.724 -176.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.85 -26.48 1.42 Allowed Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.471 1.51 . . . . 0.0 116.139 173.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.2 m -64.36 151.62 43.5 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 118.96 1.38 . . . . 0.0 112.091 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 6.4 tpt -66.3 -22.08 66.28 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -168.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -79.0 -37.19 39.87 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.043 -1.036 . . . . 0.0 112.777 170.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.29 -38.62 78.4 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.342 -0.849 . . . . 0.0 112.166 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.0 tt -61.1 -43.33 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.139 0.576 . . . . 0.0 111.522 171.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -64.7 -41.22 96.17 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.527 0.603 . . . . 0.0 111.754 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.97 -53.99 50.48 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.932 0.893 . . . . 0.0 112.445 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.63 -42.61 99.14 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.658 0.783 . . . . 0.0 111.724 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.3 tp -76.31 -27.6 56.62 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.847 0.859 . . . . 0.0 112.815 -176.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.3 68.97 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.142 0.977 . . . . 0.0 112.359 169.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.04 -49.45 74.55 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.269 0.627 . . . . 0.0 112.125 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 65.2 p -62.12 -37.82 86.57 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.92 -42.39 99.04 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.032 -1.043 . . . . 0.0 112.498 171.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.2 m -62.06 -38.08 87.4 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 121.186 -0.946 . . . . 0.0 112.074 176.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -66.92 -33.93 76.68 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.364 -0.835 . . . . 0.0 113.115 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.01 -51.27 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.269 -0.895 . . . . 0.0 110.09 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.84 -39.46 89.18 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.207 1.003 . . . . 0.0 111.961 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -58.62 -48.68 80.17 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.486 1.114 . . . . 0.0 111.737 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.77 -34.44 66.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.626 0.77 . . . . 0.0 112.59 -178.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -61.17 -43.83 98.26 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.286 0.948 . . . . 0.0 112.239 169.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.28 97.25 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.145 0.43 . . . . 0.0 112.121 176.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.98 90.82 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -62.3 -46.02 90.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.963 1.305 . . . . 0.0 111.387 177.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -63.94 -44.28 93.29 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.634 -0.666 . . . . 0.0 111.931 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.96 88.13 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.646 0.778 . . . . 0.0 112.537 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 158' ' ' LEU . . . . . 0.434 HD11 HD11 ' A' ' 58' ' ' LEU . 1.6 pp -67.55 -36.05 80.22 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.386 -0.821 . . . . 0.0 111.383 177.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -64.75 -50.8 65.46 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.401 0.681 . . . . 0.0 112.088 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -73.67 -28.51 61.79 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -176.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -64.2 -31.29 72.43 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.153 -0.967 . . . . 0.0 112.713 176.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.47 -3.15 45.29 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.322 1.449 . . . . 0.0 114.841 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -127.33 8.64 6.57 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.656 1.582 . . . . 0.0 114.824 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 125.409 1.483 . . . . 0.0 112.888 175.872 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 CA-C-O 119.383 -0.676 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.17 162.51 39.88 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.898 3.065 . . . . 0.0 112.772 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.78 -150.75 7.54 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.13 0.871 . . . . 0.0 112.992 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 m -74.7 -21.95 59.11 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 59.0 175.95 0.07 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.788 2.035 . . . . 0.0 113.959 -171.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -67.4 126.99 31.04 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.042 -1.036 . . . . 0.0 111.72 -177.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.44 152.01 19.66 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.472 1.509 . . . . 0.0 111.606 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.19 16.28 2.94 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.513 2.325 . . . . 0.0 116.899 172.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.45 158.56 85.03 Favored Pre-proline 0 CA--C 1.555 1.158 0 C-N-CA 126.033 1.733 . . . . 0.0 112.683 172.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.31 164.3 26.18 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 123.542 2.828 . . . . 0.0 114.437 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.79 -36.76 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -170.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -65.99 -25.35 67.05 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -82.17 -55.28 4.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.579 0.752 . . . . 0.0 111.326 173.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.18 -34.94 75.87 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.135 -0.978 . . . . 0.0 113.132 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.4 t -66.19 -34.76 78.76 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.793 0.837 . . . . 0.0 112.793 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.43 -40.13 44.48 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.12 -0.987 . . . . 0.0 111.492 172.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.51 -41.15 98.52 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.998 0.919 . . . . 0.0 112.721 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.74 -36.18 83.02 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.28 1.4 . . . . 0.0 112.098 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -71.47 -38.57 71.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.628 0.771 . . . . 0.0 111.905 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.35 -36.99 85.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.058 1.343 . . . . 0.0 112.723 173.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.84 -33.62 74.5 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.034 0.934 . . . . 0.0 112.529 171.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.1 mtm -82.89 -3.05 56.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.145 1.378 . . . . 0.0 114.645 171.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.07 28.45 73.38 Favored Glycine 0 CA--C 1.536 1.397 0 O-C-N 121.031 -1.043 . . . . 0.0 113.699 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -123.5 165.26 17.4 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.887 2.075 . . . . 0.0 112.239 -169.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -135.59 -3.98 2.32 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.532 1.933 . . . . 0.0 113.22 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.41 -125.75 0.62 Allowed Glycine 0 CA--C 1.537 1.451 0 C-N-CA 126.194 1.854 . . . . 0.0 112.86 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.03 -158.51 48.23 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.136 0.874 . . . . 0.0 114.551 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.38 146.55 50.44 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.359 0.98 . . . . 0.0 113.87 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 t -71.77 159.39 34.41 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.51 1.124 . . . . 0.0 112.871 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.27 143.96 32.55 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 124.259 0.933 . . . . 0.0 113.059 175.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.39 -21.97 1.71 Allowed Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.003 1.287 . . . . 0.0 115.249 175.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.35 17.75 77.81 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-N 118.493 1.146 . . . . 0.0 114.853 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.9 t -69.4 163.53 25.01 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.735 1.267 . . . . 0.0 111.814 175.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -36.8 64.6 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.715 1.206 . . . . 0.0 112.053 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.07 -26.95 65.2 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.988 0.915 . . . . 0.0 112.771 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -78.99 -43.5 24.25 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.213 -0.93 . . . . 0.0 111.581 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.91 -38.21 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.665 172.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.74 -31.83 66.85 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.927 1.239 . . . . 0.0 112.721 173.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.6 -60.07 2.52 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.173 0.989 . . . . 0.0 111.944 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -61.44 -42.93 99.52 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.0 0.92 . . . . 0.0 112.999 -173.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.75 -35.97 70.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.36 0.664 . . . . 0.0 112.276 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.16 -37.88 72.21 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.686 0.794 . . . . 0.0 112.319 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -62.03 -44.01 97.61 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.525 1.13 . . . . 0.0 111.43 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -63.25 -42.6 99.2 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.698 0.799 . . . . 0.0 111.943 174.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.85 -36.26 80.69 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.304 1.042 . . . . 0.0 112.525 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -60.2 -36.19 77.11 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.148 -0.97 . . . . 0.0 112.177 175.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -70.38 -36.95 74.44 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.246 -0.908 . . . . 0.0 112.15 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.6 -49.94 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 110.976 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -58.37 -43.54 88.48 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.923 0.889 . . . . 0.0 113.185 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -65.31 -43.39 91.18 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.115 0.566 . . . . 0.0 112.358 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.88 -38.9 79.97 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.565 0.746 . . . . 0.0 112.481 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -61.26 -46.05 91.96 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.272 0.629 . . . . 0.0 111.536 171.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.64 91.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.144 0.578 . . . . 0.0 112.448 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.84 92.37 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.109 -0.995 . . . . 0.0 112.726 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -61.41 -46.67 89.16 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.135 0.974 . . . . 0.0 111.119 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -63.87 -43.75 95.13 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.342 -0.849 . . . . 0.0 112.606 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.75 -41.17 96.12 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.06 0.944 . . . . 0.0 113.312 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 pp -74.54 -36.69 63.14 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.566 0.621 . . . . 0.0 112.056 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.65 -42.37 99.57 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.091 0.86 . . . . 0.0 111.909 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -73.74 -26.56 60.74 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.02 -39.01 63.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.306 0.957 . . . . 0.0 112.469 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -84.54 18.1 2.42 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.558 1.543 . . . . 0.0 114.295 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -74.75 -7.87 54.66 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.259 1.824 . . . . 0.0 113.983 -175.686 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 CA-C-O 119.992 -0.338 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.12 153.04 61.28 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 124.273 3.315 . . . . 0.0 114.415 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 173.35 174.75 40.61 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.697 1.142 . . . . 0.0 113.676 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 86.4 p -144.9 14.36 1.51 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.565 1.546 . . . . 0.0 113.388 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -70.34 162.5 28.45 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.74 1.616 . . . . 0.0 113.183 -174.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -73.6 39.56 0.1 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.89 2.076 . . . . 0.0 114.444 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.92 67.92 1.72 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.696 1.998 . . . . 0.0 113.255 -175.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 55.53 33.96 22.14 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.558 1.943 . . . . 0.0 114.452 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.2 146.63 83.05 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.128 0.971 . . . . 0.0 112.033 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -71.9 161.88 43.62 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.79 2.327 . . . . 0.0 112.319 -176.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.1 -25.57 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -175.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -61.29 -37.24 82.5 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.736 0.814 . . . . 0.0 112.546 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -75.02 -48.16 25.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.709 0.804 . . . . 0.0 112.169 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.25 -32.63 73.79 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 119.209 0.913 . . . . 0.0 112.442 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 18.5 t -62.2 -49.39 75.97 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.72 0.808 . . . . 0.0 111.58 167.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -33.13 72.5 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.706 -1.246 . . . . 0.0 112.577 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.35 -51.02 61.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.68 1.192 . . . . 0.0 112.094 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.96 -35.33 80.29 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.237 1.381 . . . . 0.0 112.107 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -65.17 -47.26 77.62 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.04 0.936 . . . . 0.0 112.594 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -72.68 -27.09 61.88 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.393 0.997 . . . . 0.0 113.637 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -66.51 -35.62 80.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.6 1.091 . . . . 0.0 112.479 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.7 mtt -73.12 -10.93 60.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.157 0.983 . . . . 0.0 113.241 170.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.56 15.18 79.26 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.935 1.255 . . . . 0.0 113.867 -173.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -83.57 115.39 22.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.516 1.526 . . . . 0.0 111.617 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 56.3 p-10 -84.93 -3.31 58.67 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.575 1.15 . . . . 0.0 113.547 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.76 -175.63 49.74 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.318 1.437 . . . . 0.0 114.821 176.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.11 -173.49 46.3 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.724 1.631 . . . . 0.0 113.037 178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -175.22 158.91 26.79 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.011 0.815 . . . . 0.0 113.759 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 80.5 p -77.74 165.61 24.0 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.434 1.494 . . . . 0.0 112.951 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -158.6 161.45 31.78 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.052 1.31 . . . . 0.0 112.76 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -102.37 -0.82 50.5 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.575 1.559 . . . . 0.0 114.762 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.3 13.33 83.7 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.49 1.043 . . . . 0.0 114.454 -171.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 42.3 m -67.6 159.18 30.4 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.023 1.329 . . . . 0.0 112.291 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -33.25 64.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.437 1.095 . . . . 0.0 113.455 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -74.21 -27.47 60.8 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.062 -1.024 . . . . 0.0 113.019 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -71.74 -42.52 67.17 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 120.125 1.329 . . . . 0.0 111.488 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 9.4 tt -65.27 -38.96 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.615 0.766 . . . . 0.0 111.154 171.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -59.63 -46.75 88.07 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.403 1.001 . . . . 0.0 111.467 173.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -64.4 -48.16 76.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.988 0.915 . . . . 0.0 112.165 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.25 -48.28 78.89 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.64 -0.662 . . . . 0.0 111.419 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.1 tp -77.26 -23.85 51.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.547 0.739 . . . . 0.0 112.661 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.72 85.44 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.014 -1.054 . . . . 0.0 112.217 167.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.85 -46.2 90.5 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.946 1.298 . . . . 0.0 111.532 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 90.3 p -66.08 -42.56 89.19 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.94 -41.76 98.32 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.292 -0.88 . . . . 0.0 112.342 176.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 96.7 m -62.18 -39.59 93.21 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.373 -0.83 . . . . 0.0 111.786 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -68.09 -34.77 77.02 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.92 -52.16 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 118.825 0.738 . . . . 0.0 109.899 171.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -66.32 -36.09 82.05 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.34 1.056 . . . . 0.0 112.775 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -62.05 -46.8 87.54 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.413 1.085 . . . . 0.0 112.288 174.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.58 -40.85 84.83 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.464 0.705 . . . . 0.0 112.075 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.1 -40.89 95.18 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.598 0.635 . . . . 0.0 112.636 175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.31 97.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.507 0.723 . . . . 0.0 112.338 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.96 97.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.363 0.665 . . . . 0.0 112.718 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -64.48 -43.75 93.18 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.188 0.995 . . . . 0.0 111.48 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -61.53 -36.48 80.7 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.872 -1.143 . . . . 0.0 113.044 175.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.86 71.31 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.72 -28.76 20.32 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -61.18 -40.92 95.74 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.633 -1.292 . . . . 0.0 111.68 174.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -78.31 -9.52 59.28 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -87.84 -44.34 11.16 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.059 0.943 . . . . 0.0 112.277 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -79.11 52.23 1.26 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.232 1.813 . . . . 0.0 113.616 -175.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -144.13 4.75 1.26 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.245 1.818 . . . . 0.0 115.32 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.485 1.279 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.161 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 0 CA-C-O 118.651 -1.083 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.9 159.4 51.88 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.964 3.109 . . . . 0.0 112.189 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.21 21.35 79.79 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.401 1.001 . . . . 0.0 115.004 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.5 p -69.93 -22.57 63.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.743 1.217 . . . . 0.0 114.002 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -76.38 150.11 36.85 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.511 1.525 . . . . 0.0 112.409 173.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -147.42 117.71 7.37 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.826 1.25 . . . . 0.0 110.245 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.93 83.17 1.33 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.923 1.289 . . . . 0.0 111.164 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.77 44.92 29.67 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.541 1.536 . . . . 0.0 113.826 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.13 145.07 67.45 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 124.46 1.104 . . . . 0.0 111.863 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -72.46 164.01 36.88 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.253 2.635 . . . . 0.0 112.623 -174.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 tt -58.99 -31.33 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.629 1.172 . . . . 0.0 113.654 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.08 -34.45 77.61 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.24 -0.912 . . . . 0.0 112.631 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -74.35 -50.09 20.14 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.828 0.851 . . . . 0.0 112.208 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.92 -30.01 70.53 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.665 1.12 . . . . 0.0 112.166 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -67.99 -33.16 74.1 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.169 0.987 . . . . 0.0 113.193 170.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.67 -34.54 62.72 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 119.985 -1.697 . . . . 0.0 112.558 171.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.55 -42.39 98.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.904 0.882 . . . . 0.0 112.218 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' B' ' 145' ' ' LEU . 2.6 pp -65.92 -39.51 90.59 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.493 1.042 . . . . 0.0 112.537 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -66.66 -42.08 87.16 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.593 0.633 . . . . 0.0 111.104 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -66.05 -36.13 82.39 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -66.03 -33.13 75.11 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.48 1.036 . . . . 0.0 113.214 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.4 mtt -76.85 -10.65 59.52 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.538 1.135 . . . . 0.0 113.665 172.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.6 18.7 78.72 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.819 1.199 . . . . 0.0 113.87 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -74.06 130.57 40.07 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.667 1.587 . . . . 0.0 111.268 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.92 -21.44 62.37 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.568 1.147 . . . . 0.0 113.968 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.69 150.19 42.74 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 119.005 0.821 . . . . 0.0 113.741 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.49 157.71 38.62 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.013 1.292 . . . . 0.0 114.624 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.85 150.03 19.67 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.165 0.888 . . . . 0.0 114.096 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.5 p -160.85 155.74 24.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.41 1.484 . . . . 0.0 111.609 171.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.99 141.93 31.06 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 123.997 0.808 . . . . 0.0 113.512 172.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.55 -168.05 44.21 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.349 1.452 . . . . 0.0 114.158 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.51 -30.2 0.03 OUTLIER Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.14 0.876 . . . . 0.0 114.943 173.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.0 m -91.8 156.2 17.7 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.224 1.41 . . . . 0.0 111.523 171.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 50.6 tpp -60.55 -30.76 69.97 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.395 -0.816 . . . . 0.0 113.139 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -67.78 -27.37 66.7 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.575 -1.328 . . . . 0.0 113.46 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -68.42 -44.69 74.44 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.784 0.834 . . . . 0.0 110.84 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.1 tt -73.41 -37.99 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.018 0.927 . . . . 0.0 111.698 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -55.74 -48.16 75.71 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.339 0.972 . . . . 0.0 111.319 170.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.35 -46.91 78.3 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.683 0.793 . . . . 0.0 113.089 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.1 mt -62.05 -50.46 71.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.203 0.911 . . . . 0.0 112.278 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 tp -76.03 -32.78 59.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.339 0.655 . . . . 0.0 112.629 -169.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.84 -30.69 68.24 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -66.21 -43.09 87.71 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.575 1.15 . . . . 0.0 111.828 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.3 m -63.64 -41.68 98.21 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.84 -41.2 95.33 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.929 0.891 . . . . 0.0 112.081 175.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.6 m -61.32 -42.3 98.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.445 0.698 . . . . 0.0 111.672 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -67.23 -33.3 75.07 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.395 -0.815 . . . . 0.0 113.194 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.32 -47.69 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 121.411 -0.806 . . . . 0.0 110.101 171.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -64.81 -36.16 83.42 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.376 1.071 . . . . 0.0 112.858 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.1 mtp-105 -62.18 -41.26 98.16 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.652 0.781 . . . . 0.0 112.382 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.79 -48.7 70.91 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.263 1.025 . . . . 0.0 111.169 174.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -65.44 -33.27 75.55 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.54 89.41 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.998 0.817 . . . . 0.0 112.6 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.43 -43.99 65.7 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.731 0.812 . . . . 0.0 112.485 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -64.94 -41.99 95.05 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.21 1.004 . . . . 0.0 111.796 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -64.56 -40.04 94.85 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.836 -1.165 . . . . 0.0 112.571 176.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.37 81.98 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.346 0.659 . . . . 0.0 112.567 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.06 -31.07 67.39 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -62.92 -39.85 95.82 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.625 1.102 . . . . 0.0 111.685 173.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -71.33 -35.48 71.23 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.619 1.168 . . . . 0.0 112.292 175.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.7 -44.68 40.92 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -85.42 -8.4 58.43 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -168.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -77.76 -10.24 59.44 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 . . . . . 0 C--O 1.255 1.389 0 C-N-CA 126.186 1.794 . . . . 0.0 113.336 178.463 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 112.377 -0.289 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.83 -16.31 20.74 Favored 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 123.999 3.133 . . . . 0.0 113.947 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.5 -171.49 39.5 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.797 1.665 . . . . 0.0 111.993 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 50.8 m 52.38 65.57 1.47 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.787 1.635 . . . . 0.0 113.27 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -53.37 144.79 15.69 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.281 1.432 . . . . 0.0 114.579 -171.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -150.32 -169.08 3.29 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.525 2.33 . . . . 0.0 110.742 -174.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . 64.47 -18.87 0.07 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.606 2.362 . . . . 0.0 116.87 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.89 -5.1 47.07 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.152 1.381 . . . . 0.0 114.119 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.51 151.19 21.53 Favored Pre-proline 0 CA--C 1.555 1.173 0 C-N-CA 126.591 1.956 . . . . 0.0 112.884 172.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -62.86 152.14 80.47 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.194 2.596 . . . . 0.0 112.241 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 tt -61.91 -26.93 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -170.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -62.41 -26.4 68.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.661 0.785 . . . . 0.0 112.977 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -80.0 -55.74 4.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.631 0.773 . . . . 0.0 111.188 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.34 -34.62 78.76 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.263 0.938 . . . . 0.0 112.731 -176.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.4 t -67.28 -34.64 77.84 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.668 1.187 . . . . 0.0 113.315 173.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.95 -38.59 66.71 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.546 -0.721 . . . . 0.0 111.943 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.59 -45.22 91.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.098 0.959 . . . . 0.0 112.488 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.37 -34.91 79.02 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.216 1.371 . . . . 0.0 112.539 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -66.52 -44.89 81.26 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.145 0.578 . . . . 0.0 111.629 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.18 -39.62 90.84 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.836 1.254 . . . . 0.0 112.689 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -63.94 -38.12 89.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.909 0.884 . . . . 0.0 112.58 173.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 70.8 mtm -75.73 -6.49 50.81 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 171.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.72 10.49 86.2 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.908 1.242 . . . . 0.0 115.279 -176.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -80.2 130.62 35.35 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.143 1.377 . . . . 0.0 111.71 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -98.9 -9.45 24.16 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.083 1.353 . . . . 0.0 113.139 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -90.78 -155.64 31.71 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.653 1.597 . . . . 0.0 114.363 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 86.61 -11.58 63.59 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.536 1.541 . . . . 0.0 116.277 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.18 -128.0 46.48 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 118.602 1.201 . . . . 0.0 113.869 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 40.5 t -143.42 139.22 29.84 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.572 1.549 . . . . 0.0 110.744 173.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.47 161.19 49.95 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.72 1.153 . . . . 0.0 114.915 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -94.94 -4.49 61.53 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.877 1.703 . . . . 0.0 113.746 172.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.35 83.21 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.101 1.334 . . . . 0.0 114.319 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.3 m -69.52 157.43 37.16 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.108 1.363 . . . . 0.0 112.323 176.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.7 mmt -58.42 -31.03 67.34 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.69 -28.24 65.68 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.13 -0.981 . . . . 0.0 113.198 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -73.17 -49.14 29.82 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.024 -1.047 . . . . 0.0 111.492 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.9 tt -63.59 -41.94 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.029 0.932 . . . . 0.0 112.318 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -61.72 -44.87 96.08 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.74 0.7 . . . . 0.0 111.736 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -65.9 -48.87 70.01 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.567 0.621 . . . . 0.0 112.669 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.42 -46.26 90.85 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.44 -0.788 . . . . 0.0 112.202 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.4 tp -69.88 -36.72 75.69 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.668 0.787 . . . . 0.0 112.323 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.02 81.95 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.196 0.814 . . . . 0.0 113.196 173.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -65.37 -44.62 87.03 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.515 1.052 . . . . 0.0 112.108 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 8.7 t -61.54 -40.01 93.14 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.991 -0.443 . . . . 0.0 111.966 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 18' ' ' LEU . 2.4 tm? -63.03 -42.05 99.67 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.142 0.977 . . . . 0.0 112.758 171.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 65.4 m -61.29 -38.32 86.34 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 120.844 -1.16 . . . . 0.0 111.966 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -65.52 -32.53 74.18 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.209 -0.932 . . . . 0.0 113.045 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.76 -51.0 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.516 1.053 . . . . 0.0 109.953 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -59.13 -42.24 90.18 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.138 0.975 . . . . 0.0 111.889 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -64.5 -43.09 95.22 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.884 1.274 . . . . 0.0 112.866 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.81 -37.88 79.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.112 0.869 . . . . 0.0 112.618 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -59.32 -46.21 89.2 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.911 0.778 . . . . 0.0 111.41 172.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.57 -43.62 98.36 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.986 0.914 . . . . 0.0 112.583 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.42 92.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.502 0.721 . . . . 0.0 112.39 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -66.51 -40.84 89.41 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.531 0.732 . . . . 0.0 112.019 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -65.26 -35.46 81.1 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.558 -1.339 . . . . 0.0 112.485 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.88 78.53 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.9 pp -81.44 -32.8 32.47 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.13 -43.41 98.45 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.776 1.171 . . . . 0.0 112.847 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -69.54 -13.28 62.25 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -107.67 -2.61 20.0 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.932 1.693 . . . . 0.0 114.104 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.95 4.17 7.29 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.978 1.711 . . . . 0.0 114.194 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -75.95 -13.6 60.25 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.027 1.731 . . . . 0.0 114.983 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 35.6 mp0 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 127.469 2.308 . . . . 0.0 113.731 178.555 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.508 0 CA-C-O 119.734 -0.481 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.27 150.77 78.22 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.903 3.069 . . . . 0.0 114.126 -178.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.37 166.67 54.77 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.419 1.009 . . . . 0.0 114.067 176.281 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.7 m -83.66 143.28 30.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.108 0.963 . . . . 0.0 111.42 170.593 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -143.13 159.18 42.78 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.44 1.496 . . . . 0.0 111.878 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 54.91 39.03 31.35 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.745 1.618 . . . . 0.0 113.844 177.535 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -119.74 127.04 52.47 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.709 1.604 . . . . 0.0 110.877 -174.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.91 31.57 16.12 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.804 2.041 . . . . 0.0 114.745 178.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.32 148.87 92.64 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 124.002 0.921 . . . . 0.0 111.707 174.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.98 164.01 35.5 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.118 2.546 . . . . 0.0 113.141 -171.404 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.98 -34.0 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -173.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -70.0 -24.95 63.39 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.085 -1.009 . . . . 0.0 112.685 176.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -73.37 -51.05 18.77 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.52 -0.737 . . . . 0.0 111.375 175.796 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.8 -33.12 75.23 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 120.74 -1.225 . . . . 0.0 112.784 176.141 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -69.11 -30.2 68.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 173.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.05 60.88 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.33 -0.857 . . . . 0.0 111.524 168.557 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.15 -42.88 95.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.802 0.841 . . . . 0.0 112.653 -177.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.09 -38.52 91.37 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.581 1.082 . . . . 0.0 112.702 176.387 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -68.8 -39.98 79.82 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.485 -0.759 . . . . 0.0 112.839 174.687 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -61.75 -39.88 93.16 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.471 1.108 . . . . 0.0 112.038 174.49 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -68.48 -37.27 79.97 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 174.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.3 mtt -64.47 -23.74 67.38 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.199 1.0 . . . . 0.0 113.547 173.112 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.76 12.43 59.32 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.319 1.438 . . . . 0.0 114.312 -171.751 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -80.74 160.99 24.76 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.974 1.71 . . . . 0.0 111.956 176.264 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -70.93 -31.59 68.25 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -162.306 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.41 167.14 32.03 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 119.367 0.985 . . . . 0.0 115.127 -179.401 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.39 -163.74 10.27 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.139 1.828 . . . . 0.0 115.931 -175.401 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.31 168.58 33.14 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.335 1.445 . . . . 0.0 112.987 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -150.4 159.98 44.08 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.202 1.401 . . . . 0.0 112.115 -173.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.88 0.22 87.99 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.185 1.374 . . . . 0.0 115.379 -178.321 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.42 160.97 52.59 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 118.568 1.184 . . . . 0.0 113.855 174.744 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.68 -9.89 0.05 OUTLIER Glycine 0 CA--C 1.539 1.575 0 N-CA-C 115.881 1.112 . . . . 0.0 115.881 177.69 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.1 m -72.91 159.94 32.93 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.924 1.362 . . . . 0.0 111.816 173.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -35.84 65.55 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.758 0.823 . . . . 0.0 113.028 -177.437 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -67.34 -30.51 70.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.107 0.963 . . . . 0.0 113.168 177.359 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.16 -43.38 67.64 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.99 0.814 . . . . 0.0 111.013 177.49 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tt -75.32 -37.95 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 123.547 0.739 . . . . 0.0 111.783 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.65 -36.69 74.52 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.7 1.136 . . . . 0.0 112.1 173.786 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -70.01 -58.07 4.26 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.864 0.757 . . . . 0.0 112.566 174.093 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.66 -42.96 98.02 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.425 -0.797 . . . . 0.0 112.942 -174.273 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 tp -76.63 -23.67 53.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.897 0.879 . . . . 0.0 112.585 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.53 -37.82 50.1 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.243 -0.911 . . . . 0.0 112.783 165.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -65.27 -44.86 86.71 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.269 -0.894 . . . . 0.0 112.082 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.2 p -62.77 -38.63 91.33 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 172.299 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.82 -40.91 98.86 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.769 -1.207 . . . . 0.0 111.933 170.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.5 m -61.59 -37.09 82.59 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.2 1.0 . . . . 0.0 111.605 176.146 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.23 -33.6 75.69 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.271 -0.893 . . . . 0.0 113.106 174.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.92 -47.53 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 121.289 -0.882 . . . . 0.0 110.268 171.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -55.55 -47.73 75.89 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.311 1.044 . . . . 0.0 111.814 174.107 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -55.36 -49.68 71.65 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.122 1.769 . . . . 0.0 111.732 178.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.98 -36.37 62.02 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -62.43 -41.31 98.62 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.248 0.931 . . . . 0.0 111.55 172.363 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.38 95.06 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.559 0.744 . . . . 0.0 112.49 173.527 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.33 96.16 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.706 0.802 . . . . 0.0 112.637 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -65.57 -40.26 92.58 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.386 1.075 . . . . 0.0 111.295 177.009 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.46 -43.68 96.63 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.848 -1.157 . . . . 0.0 112.26 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.86 95.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.633 0.773 . . . . 0.0 113.027 -177.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.407 ' CD1' HD11 ' B' ' 158' ' ' LEU . 4.3 pp -76.81 -29.64 56.06 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 175.105 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.59 -42.93 91.12 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.307 -0.871 . . . . 0.0 111.388 177.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -75.96 -15.92 60.08 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 175.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.3 -53.51 6.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.373 1.069 . . . . 0.0 112.808 174.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -73.86 -11.98 60.53 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -171.025 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -78.7 -2.5 39.59 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 178.414 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.442 1.497 . . . . 0.0 113.591 177.067 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.32 156.56 40.06 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.948 3.099 . . . . 0.0 114.252 178.438 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.63 133.01 32.32 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.693 0.663 . . . . 0.0 112.657 176.088 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.9 m -78.1 -16.77 57.7 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.067 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 57.57 173.15 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.792 2.037 . . . . 0.0 113.704 -165.109 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -78.16 53.06 1.16 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.618 1.167 . . . . 0.0 112.097 175.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.88 -15.91 46.32 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.072 1.349 . . . . 0.0 114.331 179.736 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.86 -8.9 59.24 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -172.261 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' B' ' 109' ' ' LEU . 3.3 pp -58.07 153.92 32.35 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 125.521 1.528 . . . . 0.0 112.119 169.742 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -63.21 157.8 47.76 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.015 2.477 . . . . 0.0 113.769 -172.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.21 -31.01 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 124.371 1.068 . . . . 0.0 113.478 -174.387 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -67.56 -34.26 76.7 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.586 0.754 . . . . 0.0 112.523 175.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -72.6 -48.4 40.07 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.34 -0.85 . . . . 0.0 111.629 -177.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.8 -32.54 73.18 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.942 -1.098 . . . . 0.0 112.667 175.469 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 32.4 t -62.57 -48.26 80.23 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.847 0.859 . . . . 0.0 111.178 170.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.19 88.66 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.157 -0.965 . . . . 0.0 112.413 176.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.94 -51.7 65.89 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.155 -0.926 . . . . 0.0 112.807 175.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.86 -33.99 77.1 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.454 1.479 . . . . 0.0 112.751 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -71.58 -36.93 71.05 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.778 0.831 . . . . 0.0 112.524 176.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.96 -40.3 87.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.117 1.367 . . . . 0.0 112.585 171.312 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -65.39 -18.64 65.47 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 173.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 75.5 mtm -103.65 3.9 34.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.167 1.787 . . . . 0.0 113.637 172.273 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.47 26.85 72.41 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.551 1.072 . . . . 0.0 115.742 173.47 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.19 157.34 34.02 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 118.962 1.381 . . . . 0.0 113.164 179.36 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 50.2 p-10 -73.56 -5.76 42.29 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.402 1.481 . . . . 0.0 114.485 -178.072 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 178.64 174.56 44.98 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 126.409 1.956 . . . . 0.0 112.412 178.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -170.27 -168.02 31.52 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.371 0.986 . . . . 0.0 113.802 -178.121 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.9 -124.83 6.9 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.873 0.749 . . . . 0.0 111.692 -172.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 41.8 t -63.31 133.45 54.17 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.824 0.85 . . . . 0.0 112.12 -177.471 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -177.0 -178.35 46.67 Favored Glycine 0 CA--C 1.535 1.338 0 O-C-N 119.083 -2.26 . . . . 0.0 113.854 -2.478 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -177.46 -177.24 46.17 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.378 1.466 . . . . 0.0 112.606 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -176.73 -6.3 0.02 OUTLIER Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.943 1.537 . . . . 0.0 116.943 -179.573 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 34.8 p -76.67 165.54 24.62 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.035 1.918 . . . . 0.0 112.334 173.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -33.64 72.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.561 0.745 . . . . 0.0 111.732 170.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -66.95 -38.95 87.08 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.367 -0.833 . . . . 0.0 112.347 174.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -63.18 -47.87 80.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.207 0.912 . . . . 0.0 112.236 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.07 -40.16 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 118.936 -0.554 . . . . 0.0 112.055 175.281 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.72 -44.76 93.61 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.212 0.915 . . . . 0.0 111.795 174.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -62.09 -53.14 59.63 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.004 0.922 . . . . 0.0 112.405 178.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.2 -42.41 84.21 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.965 -0.459 . . . . 0.0 112.015 -175.263 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.6 tp -74.4 -24.34 59.1 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.01 67.51 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.981 -1.075 . . . . 0.0 113.095 166.239 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -66.54 -45.95 77.73 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.921 -1.112 . . . . 0.0 112.394 -177.457 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 73.7 p -61.68 -42.08 98.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 171.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.65 -38.79 86.02 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.52 1.128 . . . . 0.0 112.753 175.768 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 90.5 m -60.86 -40.62 93.62 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.377 -0.827 . . . . 0.0 111.438 173.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -72.7 -34.18 66.96 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.276 -0.89 . . . . 0.0 112.895 177.097 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.07 -50.72 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.224 0.92 . . . . 0.0 109.991 171.105 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -61.84 -41.06 97.36 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.56 0.744 . . . . 0.0 112.785 177.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -59.5 -46.33 89.13 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.382 1.073 . . . . 0.0 112.489 174.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 -47.5 83.76 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.572 0.749 . . . . 0.0 111.915 176.473 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -64.98 -39.7 93.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.616 0.766 . . . . 0.0 112.325 -179.052 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.38 94.39 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.522 0.729 . . . . 0.0 112.291 174.204 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.73 84.83 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.543 -0.723 . . . . 0.0 112.719 177.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.15 -41.14 97.99 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.856 1.262 . . . . 0.0 112.006 177.531 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -67.82 -46.86 70.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.561 0.744 . . . . 0.0 111.827 174.459 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.6 98.45 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.227 -0.921 . . . . 0.0 112.64 -175.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 158' ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' ' 58' ' ' LEU . 3.0 pp -67.04 -36.76 82.79 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.491 0.587 . . . . 0.0 112.12 176.072 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -69.9 -33.55 72.35 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.15 1.341 . . . . 0.0 113.008 179.364 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -74.56 -24.99 59.01 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.12 0.968 . . . . 0.0 112.915 174.498 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -77.46 -43.26 32.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.41 0.684 . . . . 0.0 111.797 168.307 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -88.77 39.12 0.91 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.573 2.349 . . . . 0.0 112.387 176.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -68.14 -2.08 7.26 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -167.529 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.225 1.81 . . . . 0.0 110.043 162.417 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.526 0 CA-C-O 119.917 -0.379 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.21 149.54 81.62 Favored 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 123.75 2.967 . . . . 0.0 112.429 178.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.2 -168.31 27.14 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.575 1.559 . . . . 0.0 113.18 -175.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -76.82 170.07 17.15 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.873 2.469 . . . . 0.0 113.601 -4.406 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -137.83 153.67 49.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.779 1.632 . . . . 0.0 111.761 178.217 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -89.41 10.55 22.14 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.134 1.374 . . . . 0.0 114.005 170.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.56 103.35 9.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.171 2.188 . . . . 0.0 112.494 -173.107 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.64 36.56 21.11 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.059 1.744 . . . . 0.0 114.621 173.629 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -57.35 151.25 38.89 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 124.851 1.26 . . . . 0.0 112.001 174.062 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.97 160.18 50.57 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.932 2.421 . . . . 0.0 113.009 -173.31 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.06 -31.28 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -171.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -65.56 -30.97 71.78 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.304 -0.872 . . . . 0.0 112.693 176.32 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -73.07 -53.4 11.18 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.156 -0.965 . . . . 0.0 111.519 177.75 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.73 -31.85 73.16 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.377 -0.827 . . . . 0.0 112.475 178.111 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -62.9 -57.34 11.15 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.348 1.059 . . . . 0.0 111.677 170.071 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.53 73.29 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.913 -1.117 . . . . 0.0 113.147 -178.229 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.67 -46.8 83.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.993 0.815 . . . . 0.0 111.823 176.59 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.33 -33.71 76.33 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.329 0.968 . . . . 0.0 112.211 -179.022 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -69.21 -54.27 15.68 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.57 -0.706 . . . . 0.0 110.677 174.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.95 -42.34 93.86 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.236 1.815 . . . . 0.0 112.603 -176.701 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -17.04 58.24 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -176.741 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.2 mtt -84.85 -6.28 59.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.671 1.188 . . . . 0.0 112.814 164.155 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.61 11.94 82.36 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.595 1.569 . . . . 0.0 114.843 -177.018 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -83.86 122.25 28.44 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.52 1.528 . . . . 0.0 110.915 177.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -86.41 -7.67 58.26 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.576 1.15 . . . . 0.0 114.003 176.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.94 161.71 42.11 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.725 1.155 . . . . 0.0 113.564 176.083 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.6 -143.16 41.76 Favored Glycine 0 CA--C 1.537 1.41 0 O-C-N 121.878 -0.778 . . . . 0.0 114.317 176.279 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.25 4.15 71.66 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.382 1.468 . . . . 0.0 115.218 178.893 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.4 t -95.85 136.63 36.02 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.128 0.971 . . . . 0.0 110.433 167.315 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.43 138.79 49.04 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 123.703 0.668 . . . . 0.0 113.203 -179.318 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.61 132.94 29.79 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 122.107 -0.643 . . . . 0.0 114.09 -172.086 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.55 -43.22 1.26 Allowed Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.337 1.446 . . . . 0.0 113.862 177.441 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 t -80.8 158.24 25.5 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.667 1.187 . . . . 0.0 112.096 171.673 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -31.16 66.06 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.719 1.207 . . . . 0.0 112.427 167.732 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -68.28 -38.83 82.1 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.29 -0.881 . . . . 0.0 111.642 174.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -65.82 -46.39 78.8 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.393 -0.817 . . . . 0.0 111.628 -178.195 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.85 -41.59 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.708 0.803 . . . . 0.0 111.505 178.579 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -60.95 -46.1 92.07 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.389 0.995 . . . . 0.0 111.73 173.581 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -64.86 -48.81 72.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.106 0.962 . . . . 0.0 112.609 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.05 -45.76 92.15 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.99 0.814 . . . . 0.0 111.82 178.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 tp -74.1 -34.99 64.14 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.366 0.666 . . . . 0.0 112.169 -175.312 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.15 82.67 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.724 0.809 . . . . 0.0 112.863 171.704 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -58.97 -45.8 89.65 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.495 1.118 . . . . 0.0 111.114 173.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 t -62.11 -48.46 80.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.184 0.994 . . . . 0.0 112.58 175.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.78 -42.55 97.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.014 0.926 . . . . 0.0 112.865 176.303 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.5 m -60.09 -37.73 80.84 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.46 -0.775 . . . . 0.0 111.502 178.279 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -70.14 -32.56 70.61 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.34 -50.79 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.368 0.985 . . . . 0.0 109.677 171.759 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.36 -41.59 97.31 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.595 1.158 . . . . 0.0 111.954 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -63.5 -42.12 98.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.987 0.915 . . . . 0.0 112.584 175.407 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.08 -45.72 87.43 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.695 0.798 . . . . 0.0 112.488 175.015 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.16 -42.9 99.7 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 118.933 -0.555 . . . . 0.0 111.974 176.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.87 96.48 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.369 0.668 . . . . 0.0 112.415 175.154 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.49 -45.29 87.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.368 0.667 . . . . 0.0 112.779 178.074 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.37 -41.3 96.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.442 1.097 . . . . 0.0 111.549 177.743 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -66.39 -42.53 87.74 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.259 0.624 . . . . 0.0 112.024 176.133 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.1 95.26 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.795 0.838 . . . . 0.0 113.202 -177.043 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.413 HD11 HD11 ' B' ' 158' ' ' LEU . 4.4 pp -69.92 -33.43 72.16 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.731 -0.606 . . . . 0.0 112.491 175.082 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -72.89 -39.34 66.46 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.084 0.856 . . . . 0.0 112.986 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -73.91 -30.71 62.73 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.79 0.723 . . . . 0.0 112.63 176.06 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.19 91.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.834 0.854 . . . . 0.0 112.546 176.146 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -77.38 -3.28 39.38 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -177.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -123.79 7.33 8.75 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.093 1.757 . . . . 0.0 114.378 177.06 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 . . . . . 0 C--O 1.256 1.421 0 C-N-CA 126.004 1.721 . . . . 0.0 113.335 -179.565 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.402 ' N ' ' HH ' ' B' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.479 1.506 0 CA-C-O 119.915 -0.38 . . . . 0.0 112.186 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.83 157.29 55.43 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.274 3.316 . . . . 0.0 113.362 -178.179 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.87 -178.73 45.72 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.013 1.292 . . . . 0.0 115.085 178.005 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 80.4 p -77.68 163.58 26.06 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.503 1.521 . . . . 0.0 112.607 176.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.402 ' HH ' ' N ' ' B' ' 101' ' ' GLY . 95.9 m-85 -132.81 154.65 50.08 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.777 1.631 . . . . 0.0 111.385 176.695 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 29.6 t0 55.91 31.01 17.0 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.526 1.53 . . . . 0.0 113.812 -173.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.71 -18.34 59.63 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.464 1.106 . . . . 0.0 113.864 -179.116 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.98 1.28 28.08 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.535 1.534 . . . . 0.0 114.989 -175.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 pp -55.58 151.16 22.24 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 124.957 1.303 . . . . 0.0 112.603 173.505 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -66.01 159.22 50.27 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.148 2.565 . . . . 0.0 112.757 -171.356 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 8.1 tt -60.29 -30.03 45.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -174.204 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.21 -33.37 75.84 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.597 -0.69 . . . . 0.0 112.401 175.276 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -77.66 -47.2 19.82 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.602 0.761 . . . . 0.0 111.93 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.68 -32.15 73.28 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.656 -1.278 . . . . 0.0 112.445 175.662 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.7 t -59.94 -46.33 89.74 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.967 0.907 . . . . 0.0 112.175 166.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.69 99.49 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.086 -1.009 . . . . 0.0 111.623 176.207 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.12 -46.5 88.78 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.5 0.72 . . . . 0.0 112.462 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.95 -33.68 75.13 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.522 1.51 . . . . 0.0 112.797 177.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -69.8 -38.37 76.61 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.56 0.744 . . . . 0.0 111.872 174.114 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -64.31 -40.67 96.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.076 1.35 . . . . 0.0 112.098 171.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -65.58 -34.25 77.81 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 175.577 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 70.5 mtm -77.7 -20.72 53.13 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 172.39 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 66.32 33.29 84.55 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 118.935 0.789 . . . . 0.0 112.616 -163.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -65.18 137.7 57.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.591 1.557 . . . . 0.0 112.671 -172.568 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -86.07 -11.18 53.46 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.96 0.904 . . . . 0.0 113.036 172.224 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -72.34 163.42 54.63 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.965 1.269 . . . . 0.0 113.442 170.265 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -171.96 170.15 43.16 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.133 0.873 . . . . 0.0 114.279 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.6 -5.48 45.45 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.912 1.244 . . . . 0.0 115.727 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 15.0 t -77.76 155.45 31.17 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.838 1.255 . . . . 0.0 112.464 176.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 168.35 -140.21 6.08 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.145 1.355 . . . . 0.0 111.244 -175.488 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -61.33 132.09 47.9 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 117.257 0.528 . . . . 0.0 111.891 170.468 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 174.59 -140.45 5.38 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 117.663 0.732 . . . . 0.0 114.053 -172.214 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 36.9 t -64.82 160.66 19.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.389 1.475 . . . . 0.0 112.627 176.11 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -33.82 53.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.272 1.029 . . . . 0.0 111.898 164.483 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -67.39 -30.17 69.88 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.743 0.817 . . . . 0.0 112.881 176.086 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -77.14 -48.24 18.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.154 0.982 . . . . 0.0 112.011 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.78 -42.02 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.909 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -48.05 80.06 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.868 0.758 . . . . 0.0 112.36 177.724 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -68.06 -49.45 61.28 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.815 -0.553 . . . . 0.0 111.784 178.854 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 26.6 tp -66.99 -41.39 86.82 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.622 -0.674 . . . . 0.0 112.808 -173.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.7 tp -69.93 -37.26 75.84 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.869 0.868 . . . . 0.0 112.652 176.068 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.07 -39.08 86.77 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 175.18 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -62.91 -46.58 87.16 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.289 0.949 . . . . 0.0 111.655 175.303 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 23.1 t -58.19 -47.11 84.44 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.022 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.6 -41.9 98.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.957 0.903 . . . . 0.0 112.303 177.434 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.2 m -63.07 -36.73 84.55 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.333 -0.854 . . . . 0.0 112.111 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -64.39 -33.32 75.58 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.236 -0.915 . . . . 0.0 113.087 177.447 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.82 -47.68 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.157 -0.965 . . . . 0.0 110.281 173.222 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.36 -32.22 73.01 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.579 1.152 . . . . 0.0 113.005 -175.215 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -60.19 -46.34 90.04 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.764 0.826 . . . . 0.0 111.927 170.059 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 -39.59 72.51 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 178.692 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -59.32 -43.62 92.66 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.335 0.97 . . . . 0.0 111.828 172.591 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.59 94.35 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.474 0.71 . . . . 0.0 112.707 176.299 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.68 97.75 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.696 0.68 . . . . 0.0 112.819 175.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.61 -44.22 91.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.914 0.886 . . . . 0.0 111.092 176.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -63.39 -36.35 83.44 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.077 -1.014 . . . . 0.0 112.566 175.572 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.35 67.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.068 0.947 . . . . 0.0 113.348 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 158' ' ' LEU . . . . . 0.413 HD11 HD11 ' A' ' 58' ' ' LEU . 3.7 pp -71.96 -34.89 69.35 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.015 0.825 . . . . 0.0 112.678 177.618 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -64.71 -40.75 95.89 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.878 0.763 . . . . 0.0 112.17 -178.213 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.36 -12.75 60.02 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 176.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -89.03 -45.91 9.26 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.792 1.237 . . . . 0.0 112.829 175.291 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 46.1 mtt-85 -71.22 -9.99 59.01 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -173.181 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -72.81 -8.99 58.12 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.981 1.712 . . . . 0.0 114.979 175.079 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 . . . . . 0 C--O 1.255 1.351 0 C-N-CA 125.935 1.694 . . . . 0.0 113.52 -179.769 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -64.46 156.06 62.59 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 124.239 3.292 . . . . 0.0 112.973 178.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.21 9.76 84.2 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.2 0.905 . . . . 0.0 115.219 -177.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.5 t -144.64 130.68 19.41 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.485 1.514 . . . . 0.0 110.574 176.633 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -145.68 167.62 22.68 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.571 1.549 . . . . 0.0 111.886 -166.255 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -74.53 83.82 2.02 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.761 1.224 . . . . 0.0 111.399 177.853 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.41 136.26 22.11 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.751 1.62 . . . . 0.0 110.433 177.112 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 56.47 25.34 9.57 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.953 1.701 . . . . 0.0 114.599 -178.02 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.7 156.89 76.89 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 125.537 1.535 . . . . 0.0 111.948 172.198 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -62.24 154.49 62.81 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.168 2.578 . . . . 0.0 113.633 -173.162 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.3 tt -70.28 -27.14 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -164.164 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -69.55 -29.75 67.4 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.684 -0.635 . . . . 0.0 112.26 173.326 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -71.71 -52.06 19.73 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.016 0.927 . . . . 0.0 111.733 178.334 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.46 -34.38 78.16 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.542 -0.724 . . . . 0.0 112.23 177.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.2 t -62.31 -42.82 99.68 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.401 1.08 . . . . 0.0 112.524 169.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.38 95.18 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.001 -1.062 . . . . 0.0 111.873 174.378 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.61 -45.48 92.7 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 112.637 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.47 -35.05 78.42 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.141 1.337 . . . . 0.0 112.603 178.525 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -64.99 -46.37 81.73 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.653 0.781 . . . . 0.0 111.614 172.188 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -64.73 -33.1 75.17 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.225 1.01 . . . . 0.0 112.644 178.166 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -60.74 -37.76 82.84 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.195 0.907 . . . . 0.0 112.962 171.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.6 mtm -87.46 4.26 44.01 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.99 1.316 . . . . 0.0 114.176 173.012 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.31 15.15 76.95 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.6 1.095 . . . . 0.0 115.527 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -71.11 109.65 5.31 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.555 1.178 . . . . 0.0 111.024 176.202 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -72.87 -7.93 53.2 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.43 1.492 . . . . 0.0 114.395 -179.144 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.09 -23.01 71.1 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.211 0.91 . . . . 0.0 115.142 179.396 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.08 171.68 21.32 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.872 1.225 . . . . 0.0 115.241 177.708 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.36 132.46 52.57 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.247 0.927 . . . . 0.0 114.309 -171.112 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 p -107.55 -27.6 10.28 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.824 1.65 . . . . 0.0 112.709 179.343 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.85 -178.94 28.13 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.521 1.058 . . . . 0.0 114.261 -177.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.41 172.36 53.73 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.557 1.075 . . . . 0.0 113.927 178.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.2 -113.74 0.47 Allowed Glycine 0 CA--C 1.532 1.148 0 C-N-CA 123.973 0.796 . . . . 0.0 113.011 -179.181 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.2 t -66.9 163.55 19.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.529 1.131 . . . . 0.0 112.074 174.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -33.95 56.07 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.654 1.182 . . . . 0.0 112.012 169.393 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.55 -32.84 74.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.628 0.771 . . . . 0.0 112.994 176.173 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -73.85 -46.18 46.57 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.595 0.758 . . . . 0.0 111.617 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 tt -65.7 -40.97 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.89 176.245 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -59.34 -45.48 91.27 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.773 1.169 . . . . 0.0 111.806 175.712 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -64.91 -51.59 61.06 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.68 -42.34 95.41 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.935 0.788 . . . . 0.0 112.897 -178.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 tp -77.15 -24.29 51.57 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.052 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.81 -38.34 62.11 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.331 -0.855 . . . . 0.0 113.033 164.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -57.98 -53.32 59.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.97 1.308 . . . . 0.0 112.381 178.221 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.9 p -64.01 -39.08 93.3 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.134 0.573 . . . . 0.0 112.177 177.634 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.94 -40.3 95.07 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.137 0.975 . . . . 0.0 112.32 174.008 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.1 m -61.52 -41.94 98.07 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.265 -0.897 . . . . 0.0 111.62 175.261 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.45 -34.18 76.67 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.44 -0.787 . . . . 0.0 113.047 177.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.8 mt -58.44 -49.9 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 119.228 0.922 . . . . 0.0 109.554 169.667 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -60.43 -38.14 83.15 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.844 -179.265 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -62.59 -53.43 54.74 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.451 1.023 . . . . 0.0 112.009 173.107 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.47 -34.99 63.28 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -171.192 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -60.9 -46.86 88.95 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.119 0.872 . . . . 0.0 111.542 171.337 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.77 97.93 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.228 0.611 . . . . 0.0 111.975 177.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.69 86.24 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.821 0.737 . . . . 0.0 112.435 178.538 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -62.4 -41.14 98.45 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.363 1.065 . . . . 0.0 111.669 178.341 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -67.08 -48.0 69.52 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.755 0.822 . . . . 0.0 112.464 175.394 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.66 94.57 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.11 0.964 . . . . 0.0 113.44 -173.713 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 pp -69.96 -38.95 76.26 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.428 0.558 . . . . 0.0 111.624 176.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -68.75 -38.73 80.32 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.878 -1.138 . . . . 0.0 112.723 -177.572 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -72.22 -15.31 61.93 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 175.02 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.65 -49.63 6.0 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 113.391 175.642 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -74.01 -8.66 56.94 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.561 1.544 . . . . 0.0 114.684 -171.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -69.61 -13.83 62.52 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.114 1.766 . . . . 0.0 115.733 178.157 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.773 1.629 . . . . 0.0 112.881 -179.255 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 CA-C-O 119.534 -0.592 . . . . 0.0 112.069 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -60.01 156.71 37.64 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 124.443 3.429 . . . . 0.0 114.326 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.9 17.6 80.18 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.244 0.926 . . . . 0.0 114.9 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 62.5 p -67.12 -24.33 65.91 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.448 1.499 . . . . 0.0 114.143 -177.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -143.12 144.79 32.36 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.463 1.505 . . . . 0.0 111.71 176.555 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -101.09 11.35 39.69 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.382 1.473 . . . . 0.0 113.827 174.468 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -137.94 5.18 2.57 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.036 1.734 . . . . 0.0 113.981 -175.115 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -135.1 26.77 3.54 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.847 2.059 . . . . 0.0 111.801 175.264 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.43 153.8 75.03 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 126.452 1.901 . . . . 0.0 112.638 -179.335 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -63.31 155.67 60.51 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.021 2.481 . . . . 0.0 113.148 -173.554 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.3 tt -63.86 -30.0 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -173.426 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -63.81 -35.25 80.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.232 0.613 . . . . 0.0 112.148 175.544 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -71.68 -52.15 19.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.201 1.001 . . . . 0.0 111.612 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.04 -32.0 73.22 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.822 0.737 . . . . 0.0 112.365 178.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t -65.99 -37.8 86.87 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.281 1.033 . . . . 0.0 112.713 173.102 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.43 72.02 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.589 -0.694 . . . . 0.0 112.088 171.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.02 -41.68 97.35 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.351 1.06 . . . . 0.0 113.139 -178.749 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.82 -34.78 78.95 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.742 1.61 . . . . 0.0 112.145 178.055 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.4 -40.39 73.91 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.142 0.977 . . . . 0.0 111.426 175.258 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -64.78 -41.43 95.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.3 1.44 . . . . 0.0 112.438 175.05 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -65.57 -30.82 71.61 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.379 -0.826 . . . . 0.0 112.54 173.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 69.3 mtm -85.82 14.39 6.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.949 1.3 . . . . 0.0 113.88 169.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.25 3.71 84.5 Favored Glycine 0 CA--C 1.537 1.424 0 N-CA-C 116.858 1.503 . . . . 0.0 116.858 167.017 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -77.59 165.88 23.74 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 119.383 1.592 . . . . 0.0 112.436 174.486 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -76.18 47.07 0.43 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.057 1.743 . . . . 0.0 112.48 174.702 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.39 -136.04 26.09 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.831 1.205 . . . . 0.0 112.329 -172.493 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -164.94 -144.54 4.09 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.464 1.03 . . . . 0.0 112.83 -178.242 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -132.64 -147.77 5.88 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.764 1.65 . . . . 0.0 112.493 175.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 37.6 m -63.67 151.36 42.05 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.133 0.973 . . . . 0.0 112.721 177.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.87 162.29 45.85 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.198 0.904 . . . . 0.0 114.754 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -70.8 162.12 53.86 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.493 1.045 . . . . 0.0 114.881 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -147.09 -28.18 0.08 OUTLIER Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.701 1.143 . . . . 0.0 115.256 178.404 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 41.9 t -75.24 152.61 38.29 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.507 1.153 . . . . 0.0 111.547 169.81 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.4 mmt -57.69 -29.61 64.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.261 0.624 . . . . 0.0 112.533 168.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.64 -39.58 88.32 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.4 -0.812 . . . . 0.0 112.204 172.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -63.82 -50.56 68.44 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.397 0.544 . . . . 0.0 111.595 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 tt -66.08 -41.42 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.362 0.665 . . . . 0.0 112.114 -178.33 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -62.76 -38.59 91.16 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.164 0.893 . . . . 0.0 112.308 175.718 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -69.04 -56.55 7.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.458 0.703 . . . . 0.0 112.279 176.46 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.6 -44.4 90.73 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.618 0.767 . . . . 0.0 112.232 -174.47 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.57 -34.38 72.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.017 0.527 . . . . 0.0 112.017 -177.299 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.74 73.59 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 170.517 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -61.25 -47.58 85.39 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.211 -0.93 . . . . 0.0 111.555 176.587 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 69.0 m -61.17 -42.48 98.64 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.57 -38.7 88.48 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.527 -0.733 . . . . 0.0 112.726 176.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 94.9 m -63.08 -39.22 94.08 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.211 -0.931 . . . . 0.0 112.052 175.538 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -67.55 -34.49 77.19 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.997 -1.064 . . . . 0.0 113.153 178.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.25 -50.58 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.688 -0.632 . . . . 0.0 109.865 172.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.14 -38.25 90.02 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.89 0.876 . . . . 0.0 112.344 -179.105 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 45.5 ttm180 -58.25 -47.66 82.86 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.746 1.218 . . . . 0.0 112.149 175.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.83 -42.94 80.68 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.326 0.651 . . . . 0.0 112.216 177.802 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -65.52 -38.64 90.28 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.61 97.18 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.232 0.613 . . . . 0.0 111.987 174.642 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.51 87.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.377 0.671 . . . . 0.0 112.132 176.025 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -63.82 -43.27 96.73 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.96 0.904 . . . . 0.0 111.676 178.366 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -63.49 -43.11 98.21 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.562 -1.336 . . . . 0.0 112.496 175.116 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.6 84.88 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -179.727 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.55 -33.81 35.94 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.493 0.588 . . . . 0.0 112.579 175.228 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.34 -29.51 69.72 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.29 1.405 . . . . 0.0 113.325 -177.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -79.2 -12.96 59.97 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.258 1.023 . . . . 0.0 113.478 170.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -99.49 -37.16 9.3 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.82 1.248 . . . . 0.0 113.305 -178.154 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -65.09 -18.49 65.35 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -179.43 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -86.55 -6.51 58.87 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -178.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 . . . . . 0 C--O 1.256 1.44 0 C-N-CA 125.271 1.428 . . . . 0.0 113.49 -179.421 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 CA-C-O 120.105 -0.275 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.02 157.23 62.7 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 124.034 3.156 . . . . 0.0 113.03 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.0 176.5 46.5 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.311 0.958 . . . . 0.0 113.97 173.249 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.3 m -61.66 139.46 58.29 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.277 1.031 . . . . 0.0 112.542 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -73.46 158.82 34.22 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.75 1.22 . . . . 0.0 113.372 -177.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -78.92 43.14 0.49 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.924 1.69 . . . . 0.0 113.059 -178.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.27 74.9 3.07 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.124 1.769 . . . . 0.0 113.497 -169.689 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.72 37.85 24.76 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.633 1.973 . . . . 0.0 114.277 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 pp -60.37 150.07 74.35 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 125.054 1.342 . . . . 0.0 112.35 177.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.22 163.8 37.32 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.125 2.55 . . . . 0.0 113.454 -172.262 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.12 -31.55 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.005 0.922 . . . . 0.0 113.483 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.56 -33.8 76.77 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.824 0.85 . . . . 0.0 112.222 175.031 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -75.2 -51.78 12.54 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.874 0.87 . . . . 0.0 111.541 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.06 -31.1 72.15 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.289 -0.882 . . . . 0.0 112.789 178.186 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.1 t -68.53 -34.29 75.61 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.91 0.884 . . . . 0.0 112.974 171.645 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.17 -32.87 65.11 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.536 -1.352 . . . . 0.0 113.004 170.798 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.67 -45.3 87.27 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.988 -1.07 . . . . 0.0 111.837 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.37 -35.54 81.26 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.052 1.296 . . . . 0.0 112.587 177.275 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -65.06 -45.23 86.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.782 0.833 . . . . 0.0 111.346 173.643 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -66.08 -32.44 73.9 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.632 0.773 . . . . 0.0 112.851 176.322 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -68.07 -31.04 70.39 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.738 -1.226 . . . . 0.0 113.339 170.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.8 mtt -80.24 -9.29 59.72 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.004 1.321 . . . . 0.0 113.594 171.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.99 10.67 78.17 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.062 1.315 . . . . 0.0 114.972 -178.146 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -72.87 158.02 36.33 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.059 1.344 . . . . 0.0 112.042 171.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -70.97 -0.55 9.57 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.432 1.493 . . . . 0.0 114.67 177.726 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.54 42.14 8.62 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 121.116 -0.99 . . . . 0.0 112.583 -172.437 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.32 -163.93 10.36 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.511 1.529 . . . . 0.0 115.501 -176.574 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.66 166.31 41.83 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.026 1.298 . . . . 0.0 114.863 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.9 p -157.64 169.33 24.9 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.805 1.642 . . . . 0.0 111.861 -179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.43 -115.92 5.9 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 123.882 0.753 . . . . 0.0 112.48 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.17 174.34 42.17 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 124.556 1.074 . . . . 0.0 114.466 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.85 -11.94 70.79 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.95 1.262 . . . . 0.0 116.204 174.691 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.5 t -82.11 160.02 23.24 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.808 1.804 . . . . 0.0 111.893 169.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -37.76 75.06 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.284 1.034 . . . . 0.0 112.394 175.597 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.43 -33.23 75.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.273 0.629 . . . . 0.0 112.554 176.544 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -74.06 -48.58 28.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.848 0.859 . . . . 0.0 111.584 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 tt -63.71 -39.76 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 121.722 -0.611 . . . . 0.0 112.03 176.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -58.61 -35.86 73.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.241 0.928 . . . . 0.0 112.181 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.59 -55.17 6.2 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.542 0.737 . . . . 0.0 112.14 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.6 -45.49 92.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.248 0.619 . . . . 0.0 112.404 -174.729 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.5 tp -72.01 -34.68 69.06 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.229 0.612 . . . . 0.0 111.904 -176.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.46 75.81 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 172.324 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -64.87 -42.94 94.43 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.214 -0.929 . . . . 0.0 111.979 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.7 t -60.33 -44.45 95.48 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.433 0.693 . . . . 0.0 112.214 172.092 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.65 -39.34 91.0 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.144 0.978 . . . . 0.0 112.74 174.003 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.6 m -61.54 -39.31 90.63 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.715 -1.241 . . . . 0.0 111.954 175.684 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -68.76 -27.95 66.36 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.791 0.836 . . . . 0.0 112.932 177.568 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.08 -55.1 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 120.579 -1.326 . . . . 0.0 109.94 168.19 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -62.19 -36.86 83.2 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.086 0.954 . . . . 0.0 112.448 -175.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -56.11 -51.67 67.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.607 1.563 . . . . 0.0 112.212 172.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.87 -36.59 72.86 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.485 0.714 . . . . 0.0 112.47 -178.531 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.95 -43.46 95.77 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.642 0.655 . . . . 0.0 112.654 173.772 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.53 98.99 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.517 0.599 . . . . 0.0 111.738 175.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.21 85.49 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 175.853 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -61.04 -46.15 91.89 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.744 1.218 . . . . 0.0 111.463 177.436 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -62.42 -45.3 93.73 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.74 0.816 . . . . 0.0 112.447 176.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.15 76.39 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.547 0.739 . . . . 0.0 112.828 -177.515 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.407 HD11 ' CD1' ' B' ' 158' ' ' LEU . 3.6 pp -66.72 -33.84 76.53 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.041 0.837 . . . . 0.0 111.938 177.592 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.79 -40.66 79.5 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.61 1.096 . . . . 0.0 111.798 175.819 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -68.6 -31.94 71.47 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.407 -0.808 . . . . 0.0 112.375 175.148 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.01 -12.6 61.3 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 171.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -135.08 40.83 2.87 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.294 2.238 . . . . 0.0 110.86 -174.863 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -75.43 41.27 0.18 Allowed 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -164.73 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 127.082 2.153 . . . . 0.0 113.445 179.268 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 CA-C-O 118.642 -1.088 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -62.12 169.4 7.73 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.983 3.122 . . . . 0.0 114.379 176.337 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.57 7.22 67.12 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 116.382 1.313 . . . . 0.0 116.382 172.405 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.7 m -54.13 143.03 23.61 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.557 1.179 . . . . 0.0 112.314 175.26 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 57.17 12.04 1.21 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.207 1.803 . . . . 0.0 115.023 -178.164 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 55.12 26.84 8.7 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.226 1.81 . . . . 0.0 113.902 -166.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -142.11 -18.51 0.73 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -172.705 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.45 -14.66 58.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.459 1.103 . . . . 0.0 113.84 175.548 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' B' ' 109' ' ' LEU . 1.5 pp -58.43 153.03 40.93 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 125.24 1.416 . . . . 0.0 111.446 158.786 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -64.53 158.39 50.0 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.737 2.291 . . . . 0.0 112.448 -176.485 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 10.1 tp -57.71 -30.85 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.216 1.007 . . . . 0.0 113.331 -176.319 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -61.26 -32.11 71.93 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.751 1.22 . . . . 0.0 113.16 176.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -78.89 -54.91 5.57 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.241 1.016 . . . . 0.0 111.956 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.09 -30.06 71.15 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.112 -0.992 . . . . 0.0 112.541 179.038 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 23.2 t -70.98 -32.6 69.48 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 171.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.87 -36.49 75.54 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.886 1.221 . . . . 0.0 112.756 170.604 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.58 -44.56 93.3 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.854 0.862 . . . . 0.0 112.021 -179.262 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.15 -29.05 67.0 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.633 1.106 . . . . 0.0 113.368 178.121 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -67.66 -50.89 55.54 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.844 0.858 . . . . 0.0 110.858 175.234 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -72.98 -21.8 60.79 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.084 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -60.48 -35.97 77.18 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.898 -1.126 . . . . 0.0 112.174 165.012 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 67.7 mtm -90.03 12.78 16.64 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.499 1.52 . . . . 0.0 113.457 171.099 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.97 3.1 87.87 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.434 1.492 . . . . 0.0 116.233 175.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -82.6 111.23 18.39 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.133 1.466 . . . . 0.0 111.332 175.423 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -75.82 -6.04 48.8 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.092 1.357 . . . . 0.0 114.055 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -75.2 62.86 2.56 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 125.583 1.563 . . . . 0.0 114.475 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.38 179.19 43.44 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.564 1.554 . . . . 0.0 114.313 174.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.25 159.8 20.49 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.921 1.248 . . . . 0.0 113.874 -176.459 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 42.9 m 53.72 84.35 0.06 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.38 1.472 . . . . 0.0 113.062 -174.645 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.69 -162.26 9.14 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.819 1.2 . . . . 0.0 114.543 178.141 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.25 164.23 37.3 Favored Glycine 0 CA--C 1.538 1.476 0 O-C-N 121.821 -0.811 . . . . 0.0 114.039 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.96 -78.17 0.03 OUTLIER Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.284 0.945 . . . . 0.0 112.909 -176.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 54.8 p -76.8 167.77 21.25 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.502 0.668 . . . . 0.0 111.925 175.408 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -28.54 67.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.61 0.764 . . . . 0.0 112.971 175.517 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -74.36 -29.12 61.43 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.653 1.181 . . . . 0.0 112.779 176.489 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -75.97 -44.06 41.63 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.101 -0.999 . . . . 0.0 112.31 179.626 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.81 -38.94 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.848 0.859 . . . . 0.0 112.211 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -56.06 -44.64 79.1 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.928 0.785 . . . . 0.0 111.509 177.423 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -66.76 -51.88 50.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.759 0.824 . . . . 0.0 111.6 -179.18 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.29 -45.83 89.57 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.847 0.859 . . . . 0.0 112.383 -177.537 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.3 tp -73.13 -34.41 66.09 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.257 0.623 . . . . 0.0 111.716 -174.62 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.01 77.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.645 0.778 . . . . 0.0 112.762 170.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -62.16 -43.09 99.61 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.25 -0.907 . . . . 0.0 111.847 175.035 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 26.7 t -63.3 -45.52 91.01 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.618 0.767 . . . . 0.0 112.073 175.2 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.63 -40.76 93.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.734 1.213 . . . . 0.0 112.862 175.139 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 80.4 m -60.39 -39.23 86.55 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.566 0.746 . . . . 0.0 112.328 179.21 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.75 -31.52 72.21 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.424 -0.798 . . . . 0.0 112.807 177.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.5 -51.84 68.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 O-C-N 120.971 -1.081 . . . . 0.0 110.027 173.029 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.26 -41.33 96.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.487 1.115 . . . . 0.0 112.08 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -59.04 -48.66 80.79 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.283 1.433 . . . . 0.0 112.313 176.271 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.6 -34.25 69.7 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 179.42 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.39 -41.56 98.76 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.033 0.833 . . . . 0.0 112.481 171.26 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.36 99.26 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.38 0.672 . . . . 0.0 112.109 175.35 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.89 95.63 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.551 0.741 . . . . 0.0 112.284 174.38 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.05 -42.76 99.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.512 1.125 . . . . 0.0 111.477 177.421 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -63.58 -39.71 95.08 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.158 -0.964 . . . . 0.0 112.549 175.592 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.73 90.19 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 158' ' ' LEU . . . . . 0.407 ' CD1' HD11 ' A' ' 58' ' ' LEU . 4.6 pp -73.99 -27.68 61.09 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 176.611 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -61.21 -34.12 74.59 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.171 1.35 . . . . 0.0 111.599 175.625 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -70.4 -25.98 63.48 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.495 1.118 . . . . 0.0 113.245 175.07 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -82.6 -40.04 21.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.442 1.097 . . . . 0.0 112.661 173.003 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -76.99 -16.27 59.38 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -173.055 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 38.6 ptt85 -73.55 -14.21 61.17 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 178.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 . . . . . 0 N--CA 1.483 1.185 0 C-N-CA 127.579 2.352 . . . . 0.0 112.825 -173.879 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 CA-C-O 119.784 -0.454 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.93 153.24 69.86 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.384 3.389 . . . . 0.0 113.824 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.2 151.85 20.96 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.18 0.895 . . . . 0.0 113.003 177.727 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -157.02 164.3 38.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.033 1.733 . . . . 0.0 111.236 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -61.76 142.91 56.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.333 1.053 . . . . 0.0 113.01 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -148.8 164.52 34.19 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.839 1.655 . . . . 0.0 111.733 175.729 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.04 37.26 0.7 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.828 1.251 . . . . 0.0 112.29 -173.824 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.13 35.58 25.09 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.835 1.654 . . . . 0.0 113.84 -174.424 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.47 148.65 93.39 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 125.269 1.428 . . . . 0.0 112.925 -178.56 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.08 165.47 32.28 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.333 2.689 . . . . 0.0 113.472 -172.836 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 tp -59.79 -31.71 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.73 0.812 . . . . 0.0 112.886 178.42 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -64.66 -39.03 92.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.037 0.935 . . . . 0.0 112.796 175.625 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -70.57 -49.63 45.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.545 0.738 . . . . 0.0 111.659 -176.499 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.08 -32.36 73.77 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.313 -0.867 . . . . 0.0 112.507 176.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.5 m -67.87 -38.87 83.63 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.393 0.677 . . . . 0.0 112.458 172.747 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.24 79.63 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.888 -1.133 . . . . 0.0 112.393 172.543 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.17 -50.46 65.86 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.753 1.221 . . . . 0.0 112.103 175.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.85 -34.92 79.26 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.533 1.061 . . . . 0.0 112.893 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -68.21 -45.07 74.35 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.651 -0.656 . . . . 0.0 112.009 177.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.76 -29.74 64.83 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.023 0.828 . . . . 0.0 112.914 177.232 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.77 -33.19 75.29 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.904 -1.123 . . . . 0.0 112.432 169.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.7 mtm -82.21 9.66 8.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.573 1.149 . . . . 0.0 113.959 170.07 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.92 15.04 81.33 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.748 1.166 . . . . 0.0 115.875 171.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -64.84 139.59 58.78 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 118.873 1.337 . . . . 0.0 111.75 175.645 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.19 -10.12 59.22 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.355 1.462 . . . . 0.0 114.151 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.69 -154.76 7.51 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.931 1.729 . . . . 0.0 111.911 176.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.41 138.87 5.11 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.724 0.678 . . . . 0.0 113.591 174.399 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.84 179.08 51.23 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.992 1.282 . . . . 0.0 113.696 174.137 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 t -64.87 145.77 55.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.086 0.954 . . . . 0.0 112.273 173.522 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.01 126.51 10.41 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.15 0.881 . . . . 0.0 112.052 175.879 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.07 173.09 53.01 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.038 0.828 . . . . 0.0 115.068 -175.867 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.07 -147.34 18.09 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 127.531 2.491 . . . . 0.0 112.764 -3.416 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 t -66.43 163.26 18.73 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.494 1.118 . . . . 0.0 111.127 167.462 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.9 mmt -53.69 -32.74 53.01 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.236 1.014 . . . . 0.0 112.741 170.694 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.89 -31.09 72.16 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.044 0.938 . . . . 0.0 113.443 172.631 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -79.97 -47.91 14.22 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.223 1.009 . . . . 0.0 112.335 -178.472 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.09 -37.35 78.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.004 174.751 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.52 -46.01 84.33 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.563 1.074 . . . . 0.0 111.548 174.447 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -66.68 -54.65 20.89 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.627 0.649 . . . . 0.0 112.076 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.56 -44.09 97.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.89 0.876 . . . . 0.0 111.898 -174.261 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.1 tp -76.29 -25.88 55.33 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -176.65 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -36.15 59.11 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.301 -0.874 . . . . 0.0 112.766 169.423 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -61.98 -51.32 68.54 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.359 1.064 . . . . 0.0 111.734 -179.331 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -62.96 -37.0 85.34 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.588 0.755 . . . . 0.0 112.888 175.519 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' B' ' 118' ' ' LEU . 1.9 tm? -60.93 -42.6 98.46 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.087 -1.008 . . . . 0.0 112.265 172.392 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -59.42 -38.68 81.24 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.463 -0.773 . . . . 0.0 112.013 178.378 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.91 -34.44 77.78 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.946 -1.096 . . . . 0.0 113.053 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.87 -46.51 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.313 -0.867 . . . . 0.0 110.015 172.711 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.06 -39.51 94.23 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.502 1.121 . . . . 0.0 112.062 179.267 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -62.92 -46.55 87.25 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.157 0.89 . . . . 0.0 112.515 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.43 -38.04 83.93 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.338 0.517 . . . . 0.0 112.068 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -64.71 -40.16 94.88 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 173.009 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.14 97.45 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.296 0.639 . . . . 0.0 112.174 174.836 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.49 94.93 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.615 0.766 . . . . 0.0 112.218 175.619 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.57 -43.51 96.82 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.954 0.902 . . . . 0.0 111.257 174.77 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -62.03 -41.83 98.52 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.699 -1.251 . . . . 0.0 112.515 175.151 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.21 93.52 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.45 1.1 . . . . 0.0 113.694 -177.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 pp -76.93 -38.67 52.95 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.018 0.826 . . . . 0.0 111.644 173.726 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.37 -41.58 96.62 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.078 -1.014 . . . . 0.0 112.519 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -10.14 59.32 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 177.723 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.96 -46.28 5.97 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.188 1.395 . . . . 0.0 112.631 173.398 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -75.93 -6.27 50.11 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -175.721 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -71.62 -8.8 56.34 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.271 1.829 . . . . 0.0 115.279 173.75 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 . . . . . 0 C--O 1.255 1.359 0 C-N-CA 125.513 1.525 . . . . 0.0 113.398 -178.032 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.438 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -68.48 148.91 74.06 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.276 2.65 . . . . 0.0 111.085 173.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.05 9.16 79.87 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 115.744 1.058 . . . . 0.0 115.744 178.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 73.2 p -137.36 116.94 12.93 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.315 1.446 . . . . 0.0 110.717 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -143.39 159.64 42.01 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.937 1.295 . . . . 0.0 111.99 -169.525 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -75.37 14.92 0.51 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -176.654 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.25 -23.96 59.22 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.116 1.767 . . . . 0.0 113.689 169.299 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.49 10.08 7.96 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -174.355 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.21 155.46 17.47 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 125.474 1.509 . . . . 0.0 112.624 172.244 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -64.68 164.94 22.19 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.33 2.686 . . . . 0.0 114.155 -172.012 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.7 tt -64.16 -32.33 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -168.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -65.66 -35.24 80.22 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.064 -1.023 . . . . 0.0 112.018 172.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -76.14 -42.69 45.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.035 0.934 . . . . 0.0 112.581 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.76 -30.9 70.47 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 121.038 1.744 . . . . 0.0 111.978 176.007 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 44.7 t -66.35 -41.48 89.49 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.484 0.713 . . . . 0.0 112.087 168.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.04 89.09 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.942 -1.099 . . . . 0.0 112.291 173.649 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.82 -46.29 75.62 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.832 1.253 . . . . 0.0 112.624 179.446 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 45' ' ' LEU . 1.9 pp -65.31 -34.37 78.18 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.869 1.213 . . . . 0.0 111.231 177.531 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -67.4 -39.05 85.54 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.781 0.832 . . . . 0.0 112.545 171.341 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -64.97 -34.96 79.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.82 1.248 . . . . 0.0 112.3 176.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -61.8 -26.34 68.04 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.223 -0.923 . . . . 0.0 113.344 170.289 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 38.5 mtt -95.93 -1.42 49.24 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.055 1.742 . . . . 0.0 113.412 175.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 88.28 4.26 77.7 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.907 1.718 . . . . 0.0 116.304 179.407 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -91.72 142.36 27.69 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.674 1.59 . . . . 0.0 111.614 173.552 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -133.64 5.52 3.69 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.16 1.384 . . . . 0.0 114.244 175.412 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -99.09 -32.14 5.96 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.549 1.071 . . . . 0.0 115.172 -178.007 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.0 -2.87 83.46 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 116.74 1.456 . . . . 0.0 116.74 -171.749 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -63.92 111.17 3.92 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-N 119.056 1.428 . . . . 0.0 113.382 -174.05 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 43.5 t -166.49 136.56 3.22 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.771 1.629 . . . . 0.0 111.297 -177.822 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.57 80.57 1.3 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.689 1.138 . . . . 0.0 113.426 174.074 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -64.32 132.13 38.75 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 123.976 0.798 . . . . 0.0 113.249 177.369 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -92.41 -17.8 44.55 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 116.805 1.482 . . . . 0.0 116.805 -170.421 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 22.0 t -86.48 154.65 20.96 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.134 1.467 . . . . 0.0 112.282 178.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -38.4 70.68 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.797 1.239 . . . . 0.0 112.57 177.077 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.28 -20.59 65.66 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.199 1.0 . . . . 0.0 113.518 176.815 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -78.65 -56.28 4.54 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.104 0.961 . . . . 0.0 110.189 174.647 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 6.7 tt -63.41 -37.03 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.253 1.021 . . . . 0.0 112.215 -178.613 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.09 -29.92 68.9 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.956 1.253 . . . . 0.0 112.912 175.405 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -79.32 -53.88 6.5 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.862 0.756 . . . . 0.0 111.769 173.063 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.33 -46.13 91.0 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.823 0.849 . . . . 0.0 112.864 -176.208 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 20.9 tp -75.82 -22.33 56.41 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.446 1.098 . . . . 0.0 113.236 -176.642 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.28 -33.44 49.5 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.048 -1.033 . . . . 0.0 112.663 167.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -65.49 -42.59 91.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.101 0.96 . . . . 0.0 112.599 -178.602 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 72.1 p -64.13 -42.52 96.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.221 0.608 . . . . 0.0 111.941 172.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.78 -40.46 88.33 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.851 1.26 . . . . 0.0 112.247 174.295 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 53.4 m -60.03 -41.83 93.07 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.234 -0.916 . . . . 0.0 112.144 173.535 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.92 -32.24 70.43 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 176.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.11 -53.22 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 120.745 -1.222 . . . . 0.0 110.024 169.582 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.64 -40.5 95.1 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.85 0.86 . . . . 0.0 112.251 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -60.54 -44.95 95.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.952 1.301 . . . . 0.0 112.892 175.056 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.43 -35.07 65.74 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.688 0.676 . . . . 0.0 112.512 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -60.64 -44.79 95.98 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.731 0.696 . . . . 0.0 111.694 170.242 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.43 98.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.341 0.657 . . . . 0.0 112.191 176.608 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.38 95.55 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.738 0.815 . . . . 0.0 112.786 177.663 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -63.14 -38.69 92.16 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.528 1.131 . . . . 0.0 112.345 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -70.99 -41.18 71.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.516 0.726 . . . . 0.0 112.523 175.54 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.38 95.06 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.085 0.954 . . . . 0.0 113.451 -174.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.3 -28.03 66.82 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 175.584 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.35 -47.77 63.33 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.379 1.072 . . . . 0.0 112.187 -175.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -74.01 -26.78 60.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.083 0.953 . . . . 0.0 113.1 178.46 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.28 77.65 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.738 0.815 . . . . 0.0 112.935 -176.803 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -80.22 0.34 32.97 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.329 1.452 . . . . 0.0 114.559 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -140.15 20.81 2.44 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.477 1.911 . . . . 0.0 113.835 -177.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.849 1.66 . . . . 0.0 113.26 177.663 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo . . . . . 0 CA--C 1.535 0.571 0 CA-C-O 121.834 0.681 . . . . 0.0 113.65 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 tp -59.65 -31.31 46.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.373 1.069 . . . . 0.0 113.793 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.21 -37.29 86.83 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.348 -0.845 . . . . 0.0 112.473 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -72.69 -49.88 28.54 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.367 0.667 . . . . 0.0 112.098 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -67.81 -31.97 72.19 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.124 0.875 . . . . 0.0 112.302 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.9 t -62.5 -49.59 74.75 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.693 0.797 . . . . 0.0 111.812 168.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.18 90.11 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.323 -0.861 . . . . 0.0 111.74 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.53 -51.34 65.89 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.002 -0.999 . . . . 0.0 112.475 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.96 -33.85 76.75 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.689 1.586 . . . . 0.0 112.545 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -71.2 -35.3 71.5 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.465 0.706 . . . . 0.0 112.731 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.3 -38.18 81.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.105 1.362 . . . . 0.0 112.187 171.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -62.65 -27.38 69.18 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.218 -0.926 . . . . 0.0 113.171 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 66.8 mtm -96.06 3.22 53.54 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.349 1.46 . . . . 0.0 114.083 172.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.537 0 C-N-CA 125.354 1.454 . . . . 0.0 115.143 175.318 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 120.845 0.355 . . . . 0.0 111.803 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -67.39 -38.59 84.94 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.077 -1.015 . . . . 0.0 112.175 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -61.81 -50.52 71.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.212 1.005 . . . . 0.0 111.924 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.01 -43.27 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 112.16 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -59.2 -44.31 92.23 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.706 1.139 . . . . 0.0 112.123 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -64.71 -48.64 73.93 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.637 0.653 . . . . 0.0 112.387 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.51 -47.48 85.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.757 0.708 . . . . 0.0 112.258 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -78.02 -23.58 48.17 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -173.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.7 -39.67 66.83 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.371 -0.831 . . . . 0.0 112.216 165.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -62.91 -46.75 86.32 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.919 0.887 . . . . 0.0 112.147 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.2 p -62.9 -41.59 99.49 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.19 -41.46 99.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.228 1.011 . . . . 0.0 112.49 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.3 m -60.94 -41.08 95.54 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.3 -0.875 . . . . 0.0 111.815 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -67.28 -34.86 78.29 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.032 -1.042 . . . . 0.0 113.064 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.9 mt -57.42 -52.1 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.524 -0.735 . . . . 0.0 109.931 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.28 -37.88 89.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.826 0.85 . . . . 0.0 112.562 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -58.86 -48.31 81.8 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.727 1.211 . . . . 0.0 111.985 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.63 -41.42 83.95 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.411 0.684 . . . . 0.0 112.35 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.57 -41.42 96.3 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.866 0.757 . . . . 0.0 112.788 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.77 91.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.439 0.696 . . . . 0.0 112.3 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.29 84.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.336 0.654 . . . . 0.0 112.178 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 125.486 1.514 . . . . 0.0 111.531 177.32 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 CA--C 1.536 0.613 0 CA-C-O 122.009 0.754 . . . . 0.0 112.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.31 -30.36 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -63.72 -36.86 85.26 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.409 0.684 . . . . 0.0 112.016 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -71.37 -51.52 23.71 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.261 -0.899 . . . . 0.0 111.793 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.48 -32.15 73.67 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.712 -0.617 . . . . 0.0 112.492 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 55.2 m -70.11 -41.05 74.49 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.786 0.834 . . . . 0.0 112.801 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.58 -34.51 78.41 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.082 -1.011 . . . . 0.0 112.272 172.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.17 -49.25 68.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.103 0.961 . . . . 0.0 111.937 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.53 -32.91 74.56 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.631 1.56 . . . . 0.0 112.943 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -68.15 -44.33 76.25 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.798 0.726 . . . . 0.0 112.56 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.42 -25.44 59.44 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.84 -38.83 89.68 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.993 -1.067 . . . . 0.0 112.413 165.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 75.1 mtm . . . . . 0 CA--C 1.548 0.897 0 C-N-CA 124.822 1.249 . . . . 0.0 113.915 171.508 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -36.42 69.98 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.458 -0.776 . . . . 0.0 112.674 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -65.66 -31.64 72.77 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.07 0.948 . . . . 0.0 113.016 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -70.34 -49.55 48.18 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.276 -0.89 . . . . 0.0 111.008 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 10.2 tt -67.84 -40.41 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.61 0.764 . . . . 0.0 112.23 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -60.34 -27.68 67.56 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.936 1.243 . . . . 0.0 112.965 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -78.88 -63.19 1.47 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.958 0.799 . . . . 0.0 112.053 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.2 -39.44 86.33 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.588 0.631 . . . . 0.0 112.621 -169.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.2 -23.14 61.21 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.86 -40.45 24.78 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.165 0.986 . . . . 0.0 112.656 170.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -62.73 -47.99 81.17 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.983 0.913 . . . . 0.0 111.703 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 61.6 p -60.81 -39.02 87.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.51 -41.33 98.76 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.754 -1.216 . . . . 0.0 112.748 171.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.1 m -60.69 -40.09 90.91 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.317 -0.865 . . . . 0.0 111.555 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -66.7 -32.6 74.02 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.268 -0.895 . . . . 0.0 112.768 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.57 -53.66 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.697 1.135 . . . . 0.0 110.148 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.69 -39.79 89.79 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.755 0.822 . . . . 0.0 112.513 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -56.61 -52.42 64.92 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.821 1.648 . . . . 0.0 112.009 173.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.83 -32.12 63.55 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -61.33 -45.87 92.6 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.183 0.902 . . . . 0.0 112.124 168.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.0 97.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.097 0.559 . . . . 0.0 112.183 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.56 83.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.453 0.701 . . . . 0.0 112.692 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -61.26 -44.87 96.54 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.77 1.228 . . . . 0.0 111.533 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 123.639 0.776 . . . . 0.0 112.324 176.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 CA--C 1.54 0.778 0 CA-C-O 121.882 0.701 . . . . 0.0 113.769 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.38 -29.5 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -167.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -71.72 -17.56 62.2 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -80.35 -61.03 2.1 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.389 0.995 . . . . 0.0 111.005 169.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.34 -36.64 80.75 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -71.05 -31.74 68.26 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.731 0.812 . . . . 0.0 112.524 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.87 -36.84 62.28 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.281 0.946 . . . . 0.0 111.886 171.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.23 -44.58 87.76 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.394 1.077 . . . . 0.0 112.174 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.52 -34.38 78.13 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.419 1.463 . . . . 0.0 112.337 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -64.2 -45.64 87.4 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.794 0.838 . . . . 0.0 111.124 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -64.94 -40.64 95.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.65 1.58 . . . . 0.0 112.992 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -65.23 -33.2 75.42 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.368 -0.832 . . . . 0.0 112.653 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.0 mtm -81.86 5.71 18.0 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.803 1.241 . . . . 0.0 113.815 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.279 0 C-N-CA 125.655 1.598 . . . . 0.0 116.725 172.662 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -70.93 -42.31 70.04 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.274 -0.891 . . . . 0.0 112.321 170.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -64.7 -47.49 78.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.751 1.221 . . . . 0.0 112.603 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 tt -61.2 -41.72 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.539 0.736 . . . . 0.0 112.093 175.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -62.65 -47.91 81.63 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.342 0.974 . . . . 0.0 111.174 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -64.36 -36.93 85.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.429 0.691 . . . . 0.0 112.436 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.3 mt -66.5 -52.0 50.65 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.626 0.648 . . . . 0.0 111.692 172.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.56 -23.78 58.82 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.085 0.954 . . . . 0.0 113.471 -170.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.34 89.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.619 0.768 . . . . 0.0 112.996 171.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -68.17 -44.86 75.0 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.582 0.753 . . . . 0.0 112.137 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.9 p -64.27 -40.43 95.97 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.5 -44.23 97.45 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.699 -1.25 . . . . 0.0 111.778 172.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.1 m -59.81 -39.6 85.55 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 121.548 -0.72 . . . . 0.0 111.726 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.91 -35.76 79.03 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.518 -0.739 . . . . 0.0 112.886 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.4 -49.33 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.631 1.105 . . . . 0.0 109.829 172.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -58.83 -43.95 90.81 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.203 0.601 . . . . 0.0 111.818 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -48.5 78.93 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.65 1.18 . . . . 0.0 111.861 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.43 -45.52 83.53 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.492 0.717 . . . . 0.0 112.535 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -62.07 -44.0 97.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.666 0.666 . . . . 0.0 111.859 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.26 95.94 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.172 0.589 . . . . 0.0 112.127 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -48.44 76.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.859 0.863 . . . . 0.0 112.035 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 . . . . . 0 CA--C 1.542 0.658 0 C-N-CA 124.747 1.219 . . . . 0.0 111.597 177.77 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 CA--C 1.538 0.683 0 CA-C-O 121.425 0.51 . . . . 0.0 113.052 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.7 tt -57.66 -34.01 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -172.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -60.19 -30.34 69.29 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.787 0.835 . . . . 0.0 112.608 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -79.92 -58.52 3.13 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.822 0.849 . . . . 0.0 111.053 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.34 -27.21 69.16 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.67 -1.269 . . . . 0.0 113.855 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 37.8 m -73.84 -33.84 64.29 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.552 0.741 . . . . 0.0 112.182 174.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.19 -39.49 63.14 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.61 -0.681 . . . . 0.0 112.367 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.83 -39.88 90.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.622 0.769 . . . . 0.0 112.347 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.52 -37.85 87.96 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.16 1.345 . . . . 0.0 112.323 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -67.88 -40.03 83.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.444 1.097 . . . . 0.0 111.385 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -64.65 -42.28 95.54 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.61 1.564 . . . . 0.0 112.271 173.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -66.69 -31.08 71.52 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.156 0.889 . . . . 0.0 113.047 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 36.9 mtt . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 172.744 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 110.693 -0.114 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -41.32 79.03 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.71 -34.75 79.06 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.22 -0.925 . . . . 0.0 112.696 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -70.68 -46.38 63.28 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.993 0.917 . . . . 0.0 111.462 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.2 tt -64.48 -42.09 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 118.603 -0.713 . . . . 0.0 111.57 175.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -55.75 -56.76 16.69 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.403 1.001 . . . . 0.0 111.672 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -69.62 -38.79 77.36 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.726 -0.609 . . . . 0.0 112.424 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 43.2 tp -70.76 -39.76 73.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.522 1.056 . . . . 0.0 112.816 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 28.7 tp -73.48 -34.92 65.57 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.509 0.724 . . . . 0.0 111.991 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.2 73.32 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 171.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -59.26 -43.84 92.43 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.838 1.255 . . . . 0.0 111.936 176.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 56.7 m -66.4 -43.11 86.71 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 172.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.08 -38.23 85.51 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.445 -0.784 . . . . 0.0 111.947 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 89.9 m -60.82 -44.7 96.57 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.03 -1.044 . . . . 0.0 111.667 173.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -68.01 -34.09 75.84 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.549 0.74 . . . . 0.0 112.68 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.1 -51.3 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.273 1.029 . . . . 0.0 110.72 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -60.7 -42.99 98.31 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.928 0.891 . . . . 0.0 112.405 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -55.78 -49.36 73.38 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.488 1.515 . . . . 0.0 111.684 174.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.15 -46.67 79.97 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.74 0.816 . . . . 0.0 112.546 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -63.28 -40.62 97.88 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.853 0.861 . . . . 0.0 112.083 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.16 84.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.96 0.904 . . . . 0.0 112.343 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.97 94.09 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.437 0.695 . . . . 0.0 112.351 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -63.16 -43.09 99.27 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.371 1.068 . . . . 0.0 111.421 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 N--CA 1.471 0.605 0 C-N-CA 123.903 0.881 . . . . 0.0 113.24 177.522 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo . . . . . 0 CA--C 1.539 0.774 0 CA-C-O 121.901 0.709 . . . . 0.0 113.289 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 tt -60.78 -31.0 48.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -63.42 -36.81 84.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.794 0.838 . . . . 0.0 112.587 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -72.23 -51.84 19.2 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.543 0.737 . . . . 0.0 111.64 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -64.98 -30.87 71.89 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.631 1.105 . . . . 0.0 112.553 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -65.51 -43.57 89.67 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.896 1.278 . . . . 0.0 112.227 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.04 74.66 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.229 -1.545 . . . . 0.0 112.8 173.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.79 -45.38 82.61 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.961 0.905 . . . . 0.0 111.684 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.27 -32.96 74.89 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.692 1.133 . . . . 0.0 112.289 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -66.09 -52.57 47.48 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.72 0.691 . . . . 0.0 112.592 173.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.24 -26.71 64.93 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -66.28 -27.33 67.85 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.173 -0.954 . . . . 0.0 112.926 169.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.4 mtt -91.8 2.58 56.41 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.11 1.364 . . . . 0.0 113.451 172.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.704 0 C-N-CA 124.846 1.213 . . . . 0.0 115.24 -179.081 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.9 mmt . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -69.1 -23.92 64.07 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.853 -1.154 . . . . 0.0 113.525 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -76.55 -49.01 17.47 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.203 1.001 . . . . 0.0 111.366 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -66.87 -38.9 82.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.854 1.262 . . . . 0.0 111.977 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.01 -47.2 83.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.18 0.9 . . . . 0.0 111.428 174.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -68.81 -41.7 78.29 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.218 -0.926 . . . . 0.0 113.011 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.38 -49.68 72.89 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.597 0.635 . . . . 0.0 111.662 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.5 tp -75.7 -34.68 60.4 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.641 0.777 . . . . 0.0 112.837 -170.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.16 72.69 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.74 -43.86 95.22 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.399 1.08 . . . . 0.0 111.424 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -65.53 -41.75 92.74 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.46 -41.03 93.29 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.801 0.841 . . . . 0.0 112.303 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.9 m -61.72 -40.77 96.22 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.138 0.975 . . . . 0.0 111.808 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -68.14 -34.65 76.74 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.946 -1.096 . . . . 0.0 113.23 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.0 mt -59.08 -48.46 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.453 -0.779 . . . . 0.0 110.074 170.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -62.57 -40.3 96.42 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.221 1.008 . . . . 0.0 112.552 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -59.08 -48.69 80.67 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.345 1.058 . . . . 0.0 112.084 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.83 -42.61 94.8 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.611 0.765 . . . . 0.0 111.98 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -61.6 -41.81 97.98 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.694 -0.67 . . . . 0.0 112.441 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.02 96.73 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.709 0.686 . . . . 0.0 112.146 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.15 93.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.145 0.578 . . . . 0.0 112.44 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 . . . . . 0 CA--C 1.548 0.869 0 C-N-CA 124.829 1.252 . . . . 0.0 111.161 178.267 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 CA--C 1.536 0.583 0 CA-C-O 122.049 0.77 . . . . 0.0 112.803 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.2 tt -57.32 -32.87 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.169 0.988 . . . . 0.0 113.452 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.5 -25.14 67.34 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.642 1.177 . . . . 0.0 112.769 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -80.71 -59.35 2.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.536 0.734 . . . . 0.0 111.408 170.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.53 -32.8 74.6 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.713 -1.242 . . . . 0.0 113.593 -171.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.0 t -69.85 -23.46 63.29 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.443 1.097 . . . . 0.0 112.896 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.19 -36.26 19.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.501 1.121 . . . . 0.0 112.802 169.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.09 -39.12 88.73 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.336 -0.853 . . . . 0.0 112.628 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.95 -35.37 79.9 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.365 0.984 . . . . 0.0 112.458 174.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -72.68 -40.79 65.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.061 0.945 . . . . 0.0 111.153 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.77 -39.46 94.32 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.383 1.473 . . . . 0.0 112.479 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.51 -33.57 76.21 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.612 0.765 . . . . 0.0 112.467 171.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 31.9 mtm . . . . . 0 CA--C 1.548 0.867 0 C-N-CA 124.804 1.242 . . . . 0.0 113.972 170.069 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 20.7 mmt -57.35 -35.56 70.08 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.429 1.092 . . . . 0.0 113.426 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.03 -23.12 65.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -88.32 -47.59 8.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.722 1.209 . . . . 0.0 111.372 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 tt -61.35 -39.54 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.665 1.186 . . . . 0.0 112.282 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -61.93 -42.14 98.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.938 0.79 . . . . 0.0 112.336 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -63.83 -43.44 96.19 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.503 0.721 . . . . 0.0 112.073 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.39 -50.37 67.89 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.541 0.737 . . . . 0.0 111.751 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.0 tp -73.83 -27.97 61.37 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.566 0.746 . . . . 0.0 112.975 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.21 74.15 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.563 -0.71 . . . . 0.0 112.729 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -65.55 -43.01 91.21 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.051 1.341 . . . . 0.0 111.826 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 75.3 p -68.0 -38.02 82.13 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.352 0.661 . . . . 0.0 112.579 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.11 -42.19 96.96 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.941 0.897 . . . . 0.0 111.965 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 77.0 m -59.36 -37.32 77.6 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.563 0.745 . . . . 0.0 111.754 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -70.1 -29.24 66.15 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.094 -1.004 . . . . 0.0 113.302 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.38 -48.23 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.447 1.021 . . . . 0.0 109.749 171.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.05 -41.65 97.01 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.085 0.954 . . . . 0.0 111.967 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.87 86.97 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.61 1.564 . . . . 0.0 112.354 172.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -45.93 91.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.451 0.7 . . . . 0.0 111.765 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -61.16 -43.68 98.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.468 0.707 . . . . 0.0 112.058 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.62 -43.91 97.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.549 0.74 . . . . 0.0 112.382 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.1 88.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.598 0.759 . . . . 0.0 112.668 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -62.81 -42.69 99.82 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 111.225 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 CA--C 1.541 0.62 0 O-C-N 120.687 -1.258 . . . . 0.0 112.031 173.74 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo . . . . . 0 CA--C 1.539 0.77 0 CA-C-O 122.004 0.752 . . . . 0.0 113.931 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 tp -60.29 -31.39 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.995 1.318 . . . . 0.0 113.965 -168.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -72.34 -29.74 64.09 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.322 -0.861 . . . . 0.0 113.054 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -72.12 -52.21 17.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.83 -1.169 . . . . 0.0 111.703 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.07 -31.53 72.46 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.417 -0.802 . . . . 0.0 112.503 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -62.6 -50.03 72.9 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.151 0.98 . . . . 0.0 111.819 169.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.07 72.27 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.724 -1.235 . . . . 0.0 112.545 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.33 -52.89 50.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.249 1.02 . . . . 0.0 111.782 173.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.88 -32.19 73.28 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.701 1.591 . . . . 0.0 112.772 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -64.17 -51.92 61.49 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.912 0.885 . . . . 0.0 111.351 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.93 -26.98 63.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.029 0.831 . . . . 0.0 113.143 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -68.5 -31.47 70.76 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.523 1.056 . . . . 0.0 112.486 170.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 73.4 mtm -78.72 -5.26 52.7 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 166.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.485 0 C-N-CA 124.87 1.224 . . . . 0.0 114.563 -174.526 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -82.36 -23.1 35.19 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.89 0.876 . . . . 0.0 113.134 172.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -74.08 -44.56 53.62 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.884 -1.135 . . . . 0.0 111.422 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 tt -60.64 -40.48 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.869 0.867 . . . . 0.0 112.073 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -55.97 -53.7 53.73 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.99 0.814 . . . . 0.0 111.52 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -64.76 -47.83 76.76 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.496 0.718 . . . . 0.0 112.179 -177.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 tp -68.24 -38.7 82.09 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.808 -0.557 . . . . 0.0 112.474 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.3 tp -73.45 -33.96 65.16 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.748 0.819 . . . . 0.0 112.3 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.6 88.39 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.39 -0.819 . . . . 0.0 112.893 172.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.05 -45.51 93.23 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.479 1.036 . . . . 0.0 111.854 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.1 t -58.0 -46.32 85.43 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 173.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.13 -42.1 98.91 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.145 -0.972 . . . . 0.0 112.916 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -61.8 -37.48 84.54 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.078 -1.014 . . . . 0.0 111.73 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.67 -35.13 79.42 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.229 -0.919 . . . . 0.0 113.158 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.6 mt -58.52 -50.83 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.781 0.833 . . . . 0.0 109.632 172.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -64.24 -38.47 91.16 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.386 1.074 . . . . 0.0 112.636 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -59.79 -44.46 93.94 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.428 1.091 . . . . 0.0 112.14 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.69 -50.04 64.16 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.067 0.947 . . . . 0.0 111.751 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.19 -38.07 89.72 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.47 96.79 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.379 0.672 . . . . 0.0 111.903 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.96 67.79 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.612 0.765 . . . . 0.0 112.18 175.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 125.028 1.331 . . . . 0.0 111.674 -178.909 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo . . . . . 0 CA--C 1.54 0.812 0 CA-C-O 121.747 0.644 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.4 tt -60.74 -30.79 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -62.71 -35.72 80.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.328 0.651 . . . . 0.0 112.057 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -74.72 -51.26 14.72 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.687 0.795 . . . . 0.0 111.939 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.27 -33.04 74.48 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.225 -0.922 . . . . 0.0 112.794 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.0 t -61.68 -46.6 89.04 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.669 0.788 . . . . 0.0 111.866 167.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.67 81.28 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.767 -1.208 . . . . 0.0 112.951 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.2 -50.39 66.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.007 0.923 . . . . 0.0 111.558 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.9 -30.46 70.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.195 1.362 . . . . 0.0 112.547 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -67.8 -45.87 73.55 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.23 1.012 . . . . 0.0 112.068 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -66.8 -33.17 75.03 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.751 0.82 . . . . 0.0 112.847 175.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -61.63 -40.57 95.34 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.201 0.91 . . . . 0.0 112.452 170.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 124.632 1.173 . . . . 0.0 114.16 176.916 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 120.805 0.336 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -38.74 71.13 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.291 1.036 . . . . 0.0 112.623 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.07 -24.81 66.79 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -74.32 -52.73 11.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.543 0.737 . . . . 0.0 110.442 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.7 tt -63.83 -40.24 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.99 0.916 . . . . 0.0 112.085 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -56.83 -48.49 77.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.571 1.078 . . . . 0.0 111.626 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -67.36 -48.46 67.41 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.981 0.513 . . . . 0.0 111.743 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.47 -42.33 95.98 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.961 0.904 . . . . 0.0 112.742 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 29.0 tp -74.49 -31.75 62.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.622 1.169 . . . . 0.0 112.596 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.07 -32.46 69.13 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.468 -0.77 . . . . 0.0 112.823 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.94 -48.34 74.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.286 1.034 . . . . 0.0 112.342 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 69.1 p -64.12 -36.44 84.05 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.675 0.79 . . . . 0.0 112.739 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.3 -40.27 95.76 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.033 -1.042 . . . . 0.0 112.628 171.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 95.1 m -60.36 -37.56 81.09 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.281 -0.887 . . . . 0.0 111.961 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -68.44 -34.99 76.96 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.278 -0.889 . . . . 0.0 113.085 175.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.12 -52.17 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.558 1.072 . . . . 0.0 109.482 170.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -59.28 -39.52 83.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.321 0.648 . . . . 0.0 112.278 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -59.81 -52.76 64.06 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.217 1.007 . . . . 0.0 112.098 174.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.22 -35.12 66.26 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.478 0.711 . . . . 0.0 112.903 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -63.57 -44.0 95.36 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.924 0.784 . . . . 0.0 111.471 173.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.79 90.21 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.8 82.3 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.423 0.689 . . . . 0.0 112.389 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.1 -36.23 82.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.238 0.615 . . . . 0.0 111.96 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 . . . . . 0 CA--C 1.542 0.666 0 O-C-N 121.08 -1.012 . . . . 0.0 112.585 173.901 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 CA--C 1.535 0.555 0 CA-C-O 121.851 0.688 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.5 tt -61.26 -30.17 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -169.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -63.61 -28.62 70.05 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -76.13 -56.59 4.51 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.543 -0.723 . . . . 0.0 111.807 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.13 -34.19 75.89 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.401 -0.812 . . . . 0.0 112.926 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 m -71.83 -25.08 61.83 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.839 0.856 . . . . 0.0 113.242 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.13 -29.11 23.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.262 1.025 . . . . 0.0 112.8 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mp -61.48 -43.63 98.52 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.115 0.966 . . . . 0.0 112.188 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.06 -37.03 85.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.074 0.852 . . . . 0.0 112.788 176.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -72.86 -39.41 66.51 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.851 0.861 . . . . 0.0 112.666 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -76.85 -23.8 52.68 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.937 0.79 . . . . 0.0 112.981 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -68.94 -29.2 67.4 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 121.013 -1.055 . . . . 0.0 112.784 167.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.7 mtm -82.59 -10.52 58.93 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.025 1.33 . . . . 0.0 114.207 167.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.375 0 C-N-CA 124.933 1.254 . . . . 0.0 114.873 -178.777 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 9.0 tpt . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -81.02 -43.62 19.31 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.917 0.887 . . . . 0.0 112.065 170.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -65.9 -38.55 89.02 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.849 0.86 . . . . 0.0 112.939 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 tt -59.92 -40.02 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.844 0.858 . . . . 0.0 112.138 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -64.84 -43.24 93.7 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.557 0.617 . . . . 0.0 111.458 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -64.99 -49.87 68.58 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.392 0.677 . . . . 0.0 112.097 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.67 -44.16 91.26 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.765 0.826 . . . . 0.0 111.939 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 tp -72.45 -34.4 67.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.21 83.02 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.499 0.719 . . . . 0.0 112.222 170.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -57.05 -45.27 83.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.537 1.135 . . . . 0.0 112.065 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 t -61.93 -42.48 99.15 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.536 0.734 . . . . 0.0 112.634 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.22 -42.51 98.72 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.399 -0.813 . . . . 0.0 112.959 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 95.4 m -58.17 -39.58 79.23 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 118.899 0.772 . . . . 0.0 113.033 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -68.62 -32.2 71.9 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.31 -48.56 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.921 0.889 . . . . 0.0 110.319 174.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -65.7 -37.67 87.1 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.6 1.16 . . . . 0.0 112.594 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.4 ttp85 -59.89 -46.99 87.59 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.195 0.998 . . . . 0.0 111.982 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.67 -43.99 87.62 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.39 0.676 . . . . 0.0 112.263 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -64.97 -37.71 88.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.642 0.655 . . . . 0.0 112.464 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.48 95.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.347 0.659 . . . . 0.0 111.596 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.78 94.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.61 0.764 . . . . 0.0 112.993 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 124.196 0.998 . . . . 0.0 111.384 176.118 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo . . . . . 0 CA--C 1.533 0.465 0 CA-C-O 121.665 0.61 . . . . 0.0 113.584 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.3 tt -63.02 -32.2 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -172.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -70.54 -23.45 62.63 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.262 -0.899 . . . . 0.0 112.64 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -76.91 -50.35 13.5 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.273 -0.892 . . . . 0.0 111.732 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.89 -30.3 70.87 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.431 -0.793 . . . . 0.0 112.216 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.3 t -63.31 -42.86 99.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.979 1.311 . . . . 0.0 112.429 167.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.29 -33.51 76.15 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.321 -1.487 . . . . 0.0 113.413 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.96 -45.19 82.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.728 1.211 . . . . 0.0 112.157 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.08 -34.29 71.03 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.1 1.318 . . . . 0.0 112.439 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -64.9 -47.02 79.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.32 0.648 . . . . 0.0 112.634 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.42 -27.32 65.17 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -64.18 -36.92 85.62 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.958 0.799 . . . . 0.0 112.419 170.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 33.9 mtt . . . . . 0 N--CA 1.474 0.764 0 C-N-CA 124.803 1.241 . . . . 0.0 113.242 174.43 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.161 0.029 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.44 -35.2 69.79 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.989 -1.069 . . . . 0.0 112.873 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -67.22 -24.23 65.81 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -77.1 -49.87 14.32 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.117 -0.99 . . . . 0.0 111.409 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 13.2 tt -64.63 -40.58 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.717 0.807 . . . . 0.0 112.021 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.29 -39.54 87.25 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.403 1.001 . . . . 0.0 111.798 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -74.24 -49.5 23.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.832 0.742 . . . . 0.0 112.349 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.99 -40.39 87.35 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.08 0.952 . . . . 0.0 113.124 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.53 -28.12 60.83 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.642 0.777 . . . . 0.0 112.59 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.27 -31.74 64.26 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 121.209 -0.932 . . . . 0.0 113.057 169.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -62.8 -49.62 74.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.079 1.352 . . . . 0.0 111.564 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 77.0 p -65.67 -37.39 86.38 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.678 0.791 . . . . 0.0 112.873 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.55 -39.68 95.03 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.135 0.88 . . . . 0.0 112.615 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 99.9 m -64.19 -39.96 95.1 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.636 -1.29 . . . . 0.0 111.632 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -66.6 -28.93 68.89 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.519 1.128 . . . . 0.0 112.495 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.62 -60.32 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 120.26 1.391 . . . . 0.0 109.559 164.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -57.15 -42.41 80.97 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.641 0.776 . . . . 0.0 112.671 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -68.32 -32.69 72.98 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.78 -39.72 56.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.086 0.955 . . . . 0.0 112.174 174.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -59.48 -43.5 93.26 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.587 0.63 . . . . 0.0 111.256 171.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.63 90.5 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.17 0.988 . . . . 0.0 112.696 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.71 98.45 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.364 0.983 . . . . 0.0 112.921 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.69 -40.44 97.12 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.28 1.032 . . . . 0.0 111.467 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 CA--C 1.55 0.943 0 O-C-N 121.16 -0.963 . . . . 0.0 113.351 176.381 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo . . . . . 0 CA--C 1.539 0.74 0 CA-C-O 122.2 0.833 . . . . 0.0 113.198 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 tt -65.31 -31.54 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -71.64 -26.4 62.54 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.418 -0.801 . . . . 0.0 112.528 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -71.99 -52.01 19.11 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.778 -1.202 . . . . 0.0 111.071 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.05 -33.02 74.86 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.016 0.826 . . . . 0.0 112.589 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -66.99 -42.43 85.06 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.74 0.816 . . . . 0.0 112.4 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.67 81.89 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.513 -1.367 . . . . 0.0 113.001 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.01 -51.71 60.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.886 0.875 . . . . 0.0 111.709 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.01 -34.05 76.72 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.324 1.42 . . . . 0.0 112.465 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -72.53 -39.62 67.39 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.565 -0.709 . . . . 0.0 112.202 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -69.1 -34.51 75.2 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.633 0.773 . . . . 0.0 112.801 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -63.05 -33.65 75.89 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.024 -1.047 . . . . 0.0 112.304 170.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.7 mtm -81.46 -0.02 39.81 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.101 1.361 . . . . 0.0 114.457 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.402 0 N-CA-C 115.83 1.092 . . . . 0.0 115.83 176.064 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -74.43 -33.56 62.99 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.116 -0.99 . . . . 0.0 112.382 173.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -73.73 -45.44 52.01 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.588 0.755 . . . . 0.0 112.354 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -62.33 -42.0 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.64 -0.662 . . . . 0.0 112.242 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -60.91 -44.89 96.54 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.784 0.72 . . . . 0.0 110.877 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -67.88 -51.2 50.85 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.06 -45.02 90.63 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.19 -0.944 . . . . 0.0 112.148 -176.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -73.49 -25.64 60.54 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.43 50.07 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 168.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -66.49 -45.68 78.8 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.761 -1.212 . . . . 0.0 111.776 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 p -64.56 -36.01 82.83 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.76 -41.79 98.15 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.352 0.978 . . . . 0.0 111.905 171.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.1 m -62.29 -37.3 85.01 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.346 -0.846 . . . . 0.0 111.956 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -66.64 -35.52 80.37 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.093 -1.004 . . . . 0.0 113.358 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.7 mt -60.18 -48.12 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.958 0.799 . . . . 0.0 109.988 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -60.81 -41.33 95.48 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.928 0.891 . . . . 0.0 112.209 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -63.51 -47.29 82.31 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.426 1.09 . . . . 0.0 112.311 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.18 -37.31 80.83 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.455 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.62 -46.12 91.47 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.324 0.965 . . . . 0.0 112.28 170.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.21 96.96 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.277 0.631 . . . . 0.0 112.674 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.07 94.09 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.8 0.84 . . . . 0.0 112.611 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 . . . . . 0 CA--C 1.549 0.938 0 C-N-CA 123.543 0.737 . . . . 0.0 111.142 175.482 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 CA--C 1.538 0.677 0 CA-C-O 122.239 0.85 . . . . 0.0 113.231 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 15.2 tt -67.36 -27.91 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -167.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -69.6 -27.88 65.47 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.123 -0.986 . . . . 0.0 112.549 172.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -73.08 -49.62 27.51 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.099 0.96 . . . . 0.0 112.106 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.81 -31.99 72.98 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.082 -1.011 . . . . 0.0 112.766 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.1 t -64.68 -38.59 91.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.119 0.968 . . . . 0.0 112.631 169.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.99 83.64 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.706 -1.246 . . . . 0.0 112.482 171.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.13 -45.94 91.33 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.162 0.985 . . . . 0.0 112.872 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.12 -35.45 80.53 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.764 1.166 . . . . 0.0 111.997 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -68.43 -40.08 81.3 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.466 1.106 . . . . 0.0 111.273 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -67.79 -33.58 75.1 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.186 1.394 . . . . 0.0 112.958 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -64.06 -26.66 68.65 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.82 -1.175 . . . . 0.0 112.788 169.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 59.9 mtm . . . . . 0 CA--C 1.548 0.879 0 C-N-CA 125.928 1.691 . . . . 0.0 113.657 170.592 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 121.01 0.434 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 10.0 tpt -64.81 -19.47 65.86 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.072 0.949 . . . . 0.0 113.549 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -78.52 -34.92 46.97 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.542 1.137 . . . . 0.0 112.698 168.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -70.44 -38.48 74.54 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.281 -0.887 . . . . 0.0 112.538 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 16.7 tt -60.11 -41.42 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 123.984 0.914 . . . . 0.0 111.827 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -61.31 -46.11 91.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.912 0.778 . . . . 0.0 111.15 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -65.06 -52.32 56.44 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.52 0.728 . . . . 0.0 112.67 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.73 -45.66 85.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.809 0.844 . . . . 0.0 112.06 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.4 tp -70.61 -32.92 70.44 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.113 0.565 . . . . 0.0 112.213 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.39 75.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.747 0.819 . . . . 0.0 113.05 169.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -65.49 -44.06 88.24 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.179 0.9 . . . . 0.0 111.687 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 66.0 m -62.22 -42.41 99.28 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 172.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.17 -42.69 95.52 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.763 0.825 . . . . 0.0 112.138 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 97.5 m -60.83 -40.77 94.03 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.417 -0.802 . . . . 0.0 111.85 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -69.49 -35.91 76.01 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.472 -0.768 . . . . 0.0 113.04 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.55 -51.68 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.295 0.952 . . . . 0.0 110.078 170.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -60.94 -40.38 93.04 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.85 0.86 . . . . 0.0 112.436 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 45.9 ttm180 -60.31 -47.72 84.83 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.564 1.146 . . . . 0.0 112.328 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.9 -39.66 79.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -61.1 -43.59 98.65 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.823 0.738 . . . . 0.0 111.999 173.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.94 99.18 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.722 0.809 . . . . 0.0 112.402 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.26 89.09 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.077 0.551 . . . . 0.0 112.462 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -62.07 -46.1 90.61 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.676 1.19 . . . . 0.0 111.067 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 . . . . . 0 CA--C 1.54 0.575 0 O-C-N 120.897 -1.127 . . . . 0.0 112.615 178.104 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 CA--C 1.545 1.03 0 CA-C-O 122.068 0.778 . . . . 0.0 113.959 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.1 -34.46 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.858 1.263 . . . . 0.0 113.597 -167.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -69.35 -30.3 68.29 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.471 0.708 . . . . 0.0 112.738 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -70.2 -56.2 7.4 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.159 0.89 . . . . 0.0 111.721 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.55 -32.66 74.37 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.725 -1.234 . . . . 0.0 113.033 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -67.89 -41.29 82.96 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.396 0.678 . . . . 0.0 112.542 171.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.0 86.17 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.35 -1.469 . . . . 0.0 112.428 173.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -63.32 -51.73 64.81 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.103 0.961 . . . . 0.0 111.593 175.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.26 -36.84 85.41 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.884 1.22 . . . . 0.0 112.255 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -67.56 -46.26 73.22 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 118.519 -0.753 . . . . 0.0 111.74 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.56 -25.39 60.36 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.539 1.063 . . . . 0.0 113.323 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -65.48 -20.35 66.32 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 121.197 -0.939 . . . . 0.0 113.346 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 mtm -100.52 8.52 43.45 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.185 1.794 . . . . 0.0 113.544 168.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.44 0 C-N-CA 125.594 1.569 . . . . 0.0 115.626 179.256 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.3 mmt . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -65.34 -35.09 79.92 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.974 -1.079 . . . . 0.0 112.645 172.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -72.9 -41.85 64.2 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.696 1.198 . . . . 0.0 112.277 -176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.12 -41.27 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.741 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -58.49 -53.32 59.67 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.819 1.191 . . . . 0.0 112.519 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.96 -35.79 82.3 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.76 -40.07 63.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.314 1.046 . . . . 0.0 112.29 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.6 tp -74.82 -26.98 60.09 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.268 1.027 . . . . 0.0 113.009 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.14 -33.25 73.15 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.343 -0.848 . . . . 0.0 112.817 167.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -61.92 -51.07 69.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.887 1.275 . . . . 0.0 111.919 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.6 p -66.11 -37.05 84.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.03 0.932 . . . . 0.0 113.054 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.57 -40.51 87.56 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.289 -0.882 . . . . 0.0 111.726 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.8 m -62.07 -39.34 92.11 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.434 -0.791 . . . . 0.0 111.842 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -68.15 -36.14 79.2 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.774 -1.204 . . . . 0.0 113.199 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.91 -45.59 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.319 0.648 . . . . 0.0 110.516 171.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -65.17 -40.78 94.75 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.867 0.867 . . . . 0.0 112.919 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -57.56 -47.69 81.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.823 0.849 . . . . 0.0 112.043 172.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.76 -46.96 87.35 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.682 0.793 . . . . 0.0 112.183 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -67.52 -34.56 77.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.455 0.702 . . . . 0.0 112.638 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.1 92.05 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.073 0.851 . . . . 0.0 112.042 171.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.79 91.32 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.009 0.924 . . . . 0.0 112.702 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 124.663 1.185 . . . . 0.0 111.222 177.06 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo . . . . . 0 CA--C 1.538 0.721 0 CA-C-O 121.49 0.538 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 14.8 tt -57.15 -32.64 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -169.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.53 -34.65 71.22 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.207 1.003 . . . . 0.0 112.859 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -77.93 -47.75 17.91 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.702 0.801 . . . . 0.0 112.324 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.59 -30.28 68.99 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.653 1.115 . . . . 0.0 112.356 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.5 t -64.77 -46.58 81.53 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.958 0.903 . . . . 0.0 111.698 168.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.42 87.09 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.099 -1.001 . . . . 0.0 111.804 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.1 -48.39 73.86 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.16 0.984 . . . . 0.0 112.283 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.1 -33.96 76.97 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.146 1.339 . . . . 0.0 112.261 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -73.49 -35.81 65.7 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.655 -0.653 . . . . 0.0 112.577 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -64.66 -38.65 91.72 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.194 1.398 . . . . 0.0 112.183 172.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.96 -35.54 77.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.729 0.812 . . . . 0.0 112.596 171.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 44.2 mtt . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 124.823 1.249 . . . . 0.0 113.91 174.145 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -37.2 75.87 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.498 0.719 . . . . 0.0 112.83 -176.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -66.54 -27.86 68.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.335 1.054 . . . . 0.0 112.932 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -74.5 -49.59 21.53 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.193 -0.942 . . . . 0.0 110.837 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 13.5 tt -67.01 -40.07 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.682 0.793 . . . . 0.0 112.05 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -57.3 -49.81 74.93 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.291 0.95 . . . . 0.0 112.069 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.45 -46.29 80.44 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 38.3 tp -71.62 -38.71 70.76 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.693 -0.629 . . . . 0.0 112.353 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 22.3 tp -73.28 -31.5 64.1 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.608 0.763 . . . . 0.0 112.27 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.07 79.3 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.157 -0.965 . . . . 0.0 112.677 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -61.77 -47.2 86.24 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.395 0.998 . . . . 0.0 111.811 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 94.3 p -64.88 -40.49 95.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.93 -40.9 97.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.121 -0.987 . . . . 0.0 112.005 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 99.2 m -60.93 -39.19 88.51 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.331 -0.855 . . . . 0.0 111.444 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.89 -33.24 74.34 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.154 -0.966 . . . . 0.0 112.965 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.38 -49.92 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 121.0 -1.063 . . . . 0.0 110.55 170.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.21 -46.61 75.92 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.4 1.08 . . . . 0.0 111.355 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.63 -47.26 87.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.491 1.516 . . . . 0.0 111.749 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.75 -41.03 72.33 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.511 0.725 . . . . 0.0 112.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -61.9 -41.0 97.38 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.099 0.863 . . . . 0.0 111.896 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.41 83.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.58 0.752 . . . . 0.0 112.404 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.69 88.99 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.816 0.846 . . . . 0.0 112.431 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.05 -40.95 91.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.672 1.189 . . . . 0.0 111.466 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 123.171 0.588 . . . . 0.0 112.246 174.034 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo . . . . . 0 CA--C 1.539 0.728 0 CA-C-O 121.332 0.472 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.29 -33.53 37.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.0 -31.78 72.19 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.343 1.057 . . . . 0.0 112.901 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -76.27 -53.7 7.84 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.878 0.871 . . . . 0.0 111.949 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.3 -28.83 69.0 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.149 -0.969 . . . . 0.0 113.139 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -69.33 -29.91 67.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.987 0.915 . . . . 0.0 112.553 172.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.71 -36.76 57.0 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.935 -1.103 . . . . 0.0 112.123 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.29 -48.09 79.57 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.448 1.099 . . . . 0.0 111.75 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.4 -38.34 89.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.382 0.992 . . . . 0.0 111.927 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -73.38 -40.66 64.16 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -69.85 -29.28 66.48 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.867 0.758 . . . . 0.0 112.608 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -67.19 -26.49 66.65 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.902 -1.123 . . . . 0.0 113.231 172.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.2 mtt -88.95 -5.02 58.27 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.159 1.384 . . . . 0.0 113.62 173.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 C-N-CA 124.428 1.013 . . . . 0.0 114.406 -175.854 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.1 tpt . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -77.22 -27.53 53.44 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 168.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -80.77 -39.24 27.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.046 0.938 . . . . 0.0 111.836 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 tt -60.16 -38.88 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.446 1.098 . . . . 0.0 112.133 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -58.63 -50.45 73.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.22 0.918 . . . . 0.0 111.693 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -65.44 -45.4 83.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.396 0.678 . . . . 0.0 112.13 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 tp -73.86 -31.92 63.39 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -76.28 -34.98 59.11 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.167 -0.958 . . . . 0.0 111.781 172.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.66 -32.02 73.06 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 171.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -57.66 -47.6 81.82 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.24 1.816 . . . . 0.0 111.228 173.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -66.77 -43.24 84.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 171.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.88 -37.53 82.48 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.191 0.905 . . . . 0.0 112.375 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -60.97 -40.43 93.35 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.258 -0.901 . . . . 0.0 111.763 174.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -71.96 -34.43 68.98 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.409 -0.807 . . . . 0.0 112.865 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.14 -50.31 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.582 0.753 . . . . 0.0 110.13 170.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -61.62 -41.95 98.2 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.813 0.845 . . . . 0.0 112.44 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -56.97 -50.04 73.88 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.507 1.123 . . . . 0.0 111.645 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.79 -47.84 79.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.637 0.775 . . . . 0.0 112.309 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -63.01 -42.2 99.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.828 0.851 . . . . 0.0 112.433 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.49 93.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.52 0.728 . . . . 0.0 112.332 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.78 82.98 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 123.732 0.813 . . . . 0.0 111.541 179.789 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 CA--C 1.536 0.593 0 CA-C-O 121.752 0.647 . . . . 0.0 112.069 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 tt -59.95 -30.04 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -59.99 -30.08 68.89 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.581 0.752 . . . . 0.0 112.768 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -78.9 -50.99 10.3 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.417 -0.802 . . . . 0.0 112.558 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.7 -33.35 75.67 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.946 1.248 . . . . 0.0 112.644 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t -62.92 -37.45 87.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.529 1.132 . . . . 0.0 112.812 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.3 -38.67 65.79 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.202 -0.937 . . . . 0.0 112.036 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.17 -45.2 92.92 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.297 1.039 . . . . 0.0 112.548 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.11 -37.01 85.5 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.977 1.262 . . . . 0.0 112.002 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -70.45 -37.34 74.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.004 0.922 . . . . 0.0 113.049 174.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -65.66 -39.06 90.95 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.733 1.213 . . . . 0.0 112.445 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.8 -37.32 86.95 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.615 -0.678 . . . . 0.0 112.423 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 40.8 mtt . . . . . 0 N--CA 1.477 0.882 0 C-N-CA 124.161 0.984 . . . . 0.0 113.56 172.336 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.653 0.263 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -33.22 70.31 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -69.25 -40.23 77.99 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.932 -1.105 . . . . 0.0 112.501 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.65 -42.15 91.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.136 0.974 . . . . 0.0 111.464 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.69 -40.52 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 123.797 0.839 . . . . 0.0 112.12 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.15 -40.62 90.5 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.017 0.826 . . . . 0.0 111.868 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.54 -51.13 69.84 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.872 0.76 . . . . 0.0 112.282 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.65 -42.85 90.92 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.417 0.687 . . . . 0.0 111.778 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.5 tp -73.38 -34.53 65.6 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.57 95.73 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.853 0.861 . . . . 0.0 112.054 169.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -58.94 -46.83 87.04 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.731 1.212 . . . . 0.0 111.723 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 7.8 t -64.31 -44.29 92.05 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.432 0.693 . . . . 0.0 112.745 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.58 -41.92 98.11 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.909 -1.119 . . . . 0.0 112.606 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 67.1 m -58.64 -40.04 82.27 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.501 -0.749 . . . . 0.0 112.178 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -68.89 -31.24 70.03 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.167 -0.958 . . . . 0.0 113.474 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.28 -49.99 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.151 -0.968 . . . . 0.0 109.768 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -62.99 -40.08 96.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.087 0.955 . . . . 0.0 112.073 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -61.75 -46.66 88.63 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.774 1.23 . . . . 0.0 111.607 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.78 -43.88 82.8 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.649 0.78 . . . . 0.0 112.155 176.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -59.03 -44.58 91.76 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.953 0.797 . . . . 0.0 112.552 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.34 -45.54 93.98 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.616 0.766 . . . . 0.0 112.354 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.32 88.14 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.273 0.629 . . . . 0.0 112.666 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -65.46 -43.83 89.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.599 0.76 . . . . 0.0 111.352 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 CA--C 1.541 0.603 0 O-C-N 121.066 -1.021 . . . . 0.0 112.371 176.421 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 CA--C 1.533 0.456 0 CA-C-O 121.284 0.452 . . . . 0.0 113.135 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.7 tt -64.55 -26.18 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -168.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.24 -26.3 66.32 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.879 1.271 . . . . 0.0 113.245 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -83.07 -56.24 3.91 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.148 0.979 . . . . 0.0 112.11 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.69 -33.99 74.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.944 1.247 . . . . 0.0 112.578 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.5 m -73.53 -20.85 60.54 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.16 0.984 . . . . 0.0 113.419 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.56 -37.08 32.08 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.202 0.91 . . . . 0.0 111.658 166.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.68 -41.49 99.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.034 0.834 . . . . 0.0 112.153 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.92 -36.54 84.3 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.798 1.181 . . . . 0.0 112.719 174.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -64.66 -48.67 73.91 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.877 0.871 . . . . 0.0 111.036 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -60.18 -42.38 94.87 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.369 1.468 . . . . 0.0 113.17 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.57 -32.65 74.35 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.142 -0.973 . . . . 0.0 112.654 174.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.0 mtm -85.79 4.43 36.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.194 1.398 . . . . 0.0 113.85 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.712 0 N-CA-C 115.762 1.065 . . . . 0.0 115.762 176.221 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mmt . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -71.0 -32.54 69.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.784 0.834 . . . . 0.0 113.044 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -76.05 -43.31 44.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.15 0.98 . . . . 0.0 111.429 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -69.6 -40.15 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.276 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.31 -43.11 88.0 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.4 1.0 . . . . 0.0 111.959 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -65.76 -53.49 39.8 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.838 0.745 . . . . 0.0 112.126 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.12 -46.27 88.1 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.502 0.592 . . . . 0.0 111.927 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -74.68 -23.41 58.62 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.922 0.889 . . . . 0.0 113.11 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.03 -39.44 41.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.833 0.742 . . . . 0.0 112.924 167.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -59.74 -46.97 87.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.421 1.088 . . . . 0.0 111.362 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.4 p -63.37 -45.14 92.5 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.99 -39.55 82.16 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.112 0.965 . . . . 0.0 112.668 176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.0 m -61.13 -38.72 87.4 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.665 0.786 . . . . 0.0 111.922 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.96 -34.38 75.23 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.22 -48.38 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.822 0.737 . . . . 0.0 109.914 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.79 -37.89 89.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.257 1.023 . . . . 0.0 113.062 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -60.76 -43.05 98.49 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.667 1.187 . . . . 0.0 112.959 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.6 -43.45 76.44 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.791 0.723 . . . . 0.0 111.912 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.08 -32.29 73.36 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.05 86.14 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.128 0.877 . . . . 0.0 112.685 175.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.72 -43.56 58.84 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.859 0.863 . . . . 0.0 112.449 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 . . . . . 0 CA--C 1.546 0.825 0 C-N-CA 123.723 0.809 . . . . 0.0 112.315 -177.67 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo . . . . . 0 CA--C 1.538 0.712 0 CA-C-O 121.342 0.476 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 17.6 tt -61.1 -28.18 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.028 0.931 . . . . 0.0 113.492 -173.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.68 -36.47 74.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.541 1.136 . . . . 0.0 112.599 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -77.09 -49.54 15.06 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.707 0.803 . . . . 0.0 112.258 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.85 -35.07 79.43 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.594 1.088 . . . . 0.0 112.192 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t -70.97 -38.67 72.77 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.29 83.08 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.566 -1.334 . . . . 0.0 112.331 171.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.85 -50.35 69.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.674 0.79 . . . . 0.0 111.461 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.23 -32.7 74.29 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 120.122 1.328 . . . . 0.0 112.871 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -65.49 -46.69 78.75 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.367 -0.833 . . . . 0.0 111.397 173.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -66.41 -32.37 73.71 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.821 0.848 . . . . 0.0 112.887 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -61.49 -42.75 99.27 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.14 0.976 . . . . 0.0 112.65 172.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 64.2 mtm . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 177.704 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.617 0.246 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -37.37 71.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.728 0.811 . . . . 0.0 112.4 -178.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -67.19 -26.43 66.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.832 0.853 . . . . 0.0 113.203 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -73.85 -51.49 16.09 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.358 -0.838 . . . . 0.0 110.473 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 11.6 tt -62.81 -38.64 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.042 0.937 . . . . 0.0 112.105 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -56.82 -53.38 58.55 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.665 1.12 . . . . 0.0 111.963 175.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.79 -46.49 81.86 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.501 0.72 . . . . 0.0 111.977 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 54.7 tp -67.5 -42.87 82.15 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.754 0.822 . . . . 0.0 112.834 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.6 tp -72.21 -34.51 68.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.503 0.721 . . . . 0.0 112.1 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.46 78.48 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.454 -0.779 . . . . 0.0 113.01 170.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -62.49 -44.92 95.21 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.704 1.202 . . . . 0.0 111.612 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 54.4 p -65.85 -38.88 90.04 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.629 -0.67 . . . . 0.0 112.775 172.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.54 -45.07 88.72 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.162 0.985 . . . . 0.0 112.71 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.6 t -64.86 -29.7 70.66 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.843 -1.161 . . . . 0.0 112.825 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.37 -36.03 80.54 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.041 -1.037 . . . . 0.0 112.821 173.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 90.2 mt -58.76 -47.8 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 121.218 -0.926 . . . . 0.0 109.78 170.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -61.08 -42.25 98.17 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.567 0.747 . . . . 0.0 112.584 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -58.19 -50.16 74.5 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.179 0.9 . . . . 0.0 111.763 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.19 -37.05 66.62 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -61.19 -46.8 88.97 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.717 0.69 . . . . 0.0 111.358 171.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.93 93.83 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.414 0.686 . . . . 0.0 112.492 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.25 83.18 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.401 -0.812 . . . . 0.0 112.583 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -63.3 -42.53 99.05 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.805 0.842 . . . . 0.0 111.116 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 . . . . . 0 CA--C 1.541 0.626 0 O-C-N 121.2 -0.938 . . . . 0.0 112.412 174.008 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 CA--C 1.538 0.704 0 N-CA-C 113.324 0.471 . . . . 0.0 113.324 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.6 tt -58.3 -37.17 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.42 -29.18 70.51 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.562 0.745 . . . . 0.0 112.671 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -75.31 -54.22 7.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.711 0.805 . . . . 0.0 111.219 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.14 -32.47 74.05 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.031 0.832 . . . . 0.0 112.522 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -65.1 -32.12 73.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.004 1.322 . . . . 0.0 113.232 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.32 -39.03 33.81 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.011 -1.056 . . . . 0.0 112.605 171.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.5 -39.54 88.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.179 0.992 . . . . 0.0 112.132 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.82 -39.36 91.53 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.972 1.26 . . . . 0.0 111.944 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -68.86 -43.21 75.87 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.162 0.985 . . . . 0.0 111.398 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -68.58 -30.63 69.42 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.938 0.895 . . . . 0.0 113.271 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -62.13 -39.58 93.06 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.86 -1.15 . . . . 0.0 111.859 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 mtm -79.9 7.63 8.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.631 1.573 . . . . 0.0 114.17 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.511 0 N-CA-C 116.046 1.178 . . . . 0.0 116.046 172.683 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.9 -30.18 70.27 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.328 -0.857 . . . . 0.0 112.819 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -71.88 -45.92 59.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.52 0.728 . . . . 0.0 110.986 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -67.21 -37.57 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.602 0.761 . . . . 0.0 111.839 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -56.11 -48.96 75.16 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.188 0.904 . . . . 0.0 111.56 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -65.2 -47.08 78.16 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.985 0.914 . . . . 0.0 112.834 -177.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.74 -47.5 80.8 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.589 0.631 . . . . 0.0 111.816 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.42 -36.73 71.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.72 -38.15 80.02 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.55 -0.719 . . . . 0.0 112.597 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.99 -42.5 99.21 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.969 0.908 . . . . 0.0 111.007 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 m -62.5 -44.87 95.32 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.76 -38.67 82.45 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.367 1.067 . . . . 0.0 112.018 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.6 m -59.95 -39.89 87.13 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.392 -0.818 . . . . 0.0 112.072 176.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.89 -36.14 77.71 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.104 -0.997 . . . . 0.0 113.149 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.2 -50.76 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 O-C-N 121.33 -0.856 . . . . 0.0 109.99 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.15 -42.63 95.28 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.996 0.919 . . . . 0.0 112.384 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -57.16 -50.24 73.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.821 1.249 . . . . 0.0 112.38 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.62 -38.04 67.89 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.28 0.632 . . . . 0.0 112.691 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.99 -41.35 99.55 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.102 0.864 . . . . 0.0 112.205 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.16 97.45 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.16 95.47 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.544 0.738 . . . . 0.0 112.594 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 . . . . . 0 CA--C 1.543 0.684 0 C-N-CA 124.098 0.959 . . . . 0.0 111.059 175.413 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo . . . . . 0 CA--C 1.536 0.614 0 CA-C-O 121.677 0.616 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.5 tt -58.81 -31.92 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -64.12 -34.6 78.43 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.212 -0.93 . . . . 0.0 112.431 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -73.97 -53.26 10.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.875 0.761 . . . . 0.0 111.73 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.77 -31.06 71.46 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.162 -0.961 . . . . 0.0 113.154 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 39.7 t -69.07 -42.8 75.73 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.338 0.655 . . . . 0.0 111.089 171.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.94 89.62 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.578 -1.326 . . . . 0.0 111.6 172.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.87 -46.07 86.57 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.846 0.748 . . . . 0.0 112.605 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.01 -34.17 77.14 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.49 1.495 . . . . 0.0 112.376 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -66.1 -37.41 85.71 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.181 0.992 . . . . 0.0 111.602 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -69.05 -31.78 70.8 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.532 1.533 . . . . 0.0 113.081 174.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.98 -34.53 77.95 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.27 1.395 . . . . 0.0 112.318 169.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 51.0 mtt . . . . . 0 CA--C 1.55 0.961 0 C-N-CA 124.48 1.112 . . . . 0.0 113.661 172.075 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 37.7 t . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.9 tpt -64.64 -28.16 69.42 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -75.33 -38.04 60.42 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.503 -0.748 . . . . 0.0 112.163 169.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -61.49 -46.52 89.66 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.26 1.024 . . . . 0.0 111.583 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.8 tt -62.82 -41.04 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 121.643 -0.66 . . . . 0.0 112.725 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -60.48 -48.68 80.71 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.343 0.974 . . . . 0.0 110.957 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.15 -45.8 86.9 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.263 0.625 . . . . 0.0 112.165 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 46.9 tp -68.06 -40.77 82.72 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.809 0.844 . . . . 0.0 112.709 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.7 tp -77.98 -26.01 48.45 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.449 1.1 . . . . 0.0 112.329 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.95 79.5 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.518 -0.739 . . . . 0.0 112.224 168.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -57.5 -46.59 83.58 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.314 -0.866 . . . . 0.0 112.618 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 51.3 p -65.24 -38.1 89.31 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.49 -44.27 91.5 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.956 0.902 . . . . 0.0 112.204 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 74.3 m -59.93 -41.44 91.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.831 0.852 . . . . 0.0 111.79 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -66.31 -33.68 76.28 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.116 -0.99 . . . . 0.0 113.223 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.9 -49.29 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.469 0.708 . . . . 0.0 110.033 170.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -65.91 -40.38 91.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.692 1.197 . . . . 0.0 112.347 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 34.9 mtp-105 -58.91 -47.59 84.45 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.429 1.092 . . . . 0.0 112.326 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.38 -36.08 73.91 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.53 -42.21 95.9 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.699 0.681 . . . . 0.0 112.42 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.3 99.23 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 174.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.6 85.08 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.748 0.819 . . . . 0.0 112.246 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -61.24 -40.53 94.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.703 1.201 . . . . 0.0 111.44 177.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.083 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 CA--C 1.534 0.518 0 CA-C-O 122.138 0.807 . . . . 0.0 112.933 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 tt -56.32 -35.11 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.654 1.182 . . . . 0.0 113.842 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -64.42 -26.35 68.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.764 0.826 . . . . 0.0 113.203 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -81.16 -55.99 4.38 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.452 -0.78 . . . . 0.0 112.234 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.66 -32.16 73.56 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.901 -1.124 . . . . 0.0 113.284 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -74.25 -23.86 59.21 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.55 -39.4 46.04 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.693 0.679 . . . . 0.0 111.923 167.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.68 -41.45 90.7 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.663 0.785 . . . . 0.0 112.387 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.43 -34.78 78.72 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.22 0.918 . . . . 0.0 112.544 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -69.7 -42.69 73.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.583 0.629 . . . . 0.0 111.487 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -59.59 -38.48 81.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.974 1.31 . . . . 0.0 112.442 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -66.64 -28.53 68.55 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 172.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.5 mtm -92.94 -2.8 55.47 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.168 1.387 . . . . 0.0 114.719 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 114.659 -172.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -68.92 -27.84 66.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.09 0.956 . . . . 0.0 113.197 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -75.91 -48.0 23.06 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.475 -0.765 . . . . 0.0 110.98 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -66.62 -35.43 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.486 -0.759 . . . . 0.0 112.029 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -61.28 -25.83 67.36 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.696 1.135 . . . . 0.0 113.288 174.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -85.24 -50.33 7.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.884 0.874 . . . . 0.0 111.792 170.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 tp -66.96 -45.32 78.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.538 1.135 . . . . 0.0 113.241 -171.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.9 tp -72.85 -23.46 60.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.895 1.278 . . . . 0.0 112.765 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.63 -30.48 56.91 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.739 0.816 . . . . 0.0 112.637 169.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -69.09 -41.0 78.08 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.165 -0.959 . . . . 0.0 112.913 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 p -65.28 -39.29 92.38 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.108 0.563 . . . . 0.0 111.999 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.17 -41.89 93.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.785 1.234 . . . . 0.0 112.191 171.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.7 m -60.74 -41.3 95.11 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.391 0.676 . . . . 0.0 111.9 174.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -66.45 -36.52 82.98 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.494 -0.754 . . . . 0.0 112.459 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -59.69 -52.58 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.446 1.021 . . . . 0.0 110.472 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -56.74 -43.77 81.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.517 0.727 . . . . 0.0 112.477 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 46.1 ttm180 -58.13 -52.39 65.74 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.217 1.407 . . . . 0.0 112.111 176.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.43 -34.34 65.4 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.791 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.67 -44.51 96.82 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.432 1.015 . . . . 0.0 111.808 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.83 91.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.669 0.788 . . . . 0.0 112.342 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.98 86.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.68 0.792 . . . . 0.0 112.126 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.435 1.494 . . . . 0.0 111.584 176.594 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 CA--C 1.539 0.739 0 CA-C-O 121.449 0.521 . . . . 0.0 112.393 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.6 tt -66.61 -25.26 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -171.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -65.51 -28.11 68.95 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.604 -0.685 . . . . 0.0 112.161 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -73.88 -48.36 31.49 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.666 -1.271 . . . . 0.0 112.589 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.47 -34.15 76.59 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.908 -1.12 . . . . 0.0 112.307 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.0 t -63.13 -41.9 99.4 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.804 0.842 . . . . 0.0 112.458 169.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.81 72.36 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.86 -1.15 . . . . 0.0 112.824 174.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.2 -46.52 77.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.039 0.836 . . . . 0.0 111.931 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.66 -32.65 72.64 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.298 1.408 . . . . 0.0 112.898 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -61.63 -46.66 88.85 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.189 0.904 . . . . 0.0 111.25 170.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -65.24 -41.92 93.88 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.262 1.425 . . . . 0.0 113.088 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -67.23 -34.04 76.63 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.189 -0.945 . . . . 0.0 113.022 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 77.4 mtm . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 171.814 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 111.138 0.051 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 11.1 mmt -57.67 -33.1 67.98 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -68.2 -25.75 65.39 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.178 -0.951 . . . . 0.0 113.354 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -75.38 -49.71 18.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.501 1.046 . . . . 0.0 110.893 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.63 -41.65 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.658 1.183 . . . . 0.0 111.716 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -59.11 -46.59 87.93 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.325 0.966 . . . . 0.0 111.83 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -66.04 -51.44 58.23 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.714 0.688 . . . . 0.0 112.853 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.91 -42.07 98.65 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.487 -0.758 . . . . 0.0 112.53 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.97 -30.63 62.6 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.272 0.629 . . . . 0.0 112.523 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.85 77.12 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 170.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -60.34 -51.01 71.36 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.441 1.018 . . . . 0.0 111.791 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 66.9 p -64.31 -39.5 94.04 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 176.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.9 -39.62 95.06 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.697 -1.252 . . . . 0.0 112.078 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 84.1 m -61.52 -38.0 85.77 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.303 -0.873 . . . . 0.0 111.388 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -69.14 -33.84 74.06 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.142 -0.974 . . . . 0.0 112.931 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.9 -49.6 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 120.963 -1.086 . . . . 0.0 109.681 171.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -54.76 -47.06 74.36 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.853 0.861 . . . . 0.0 111.435 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.75 -49.69 76.48 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.167 1.387 . . . . 0.0 112.246 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.83 -44.3 81.46 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.35 0.66 . . . . 0.0 112.748 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -66.73 -39.5 88.0 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.855 0.752 . . . . 0.0 111.907 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.35 83.22 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.218 0.607 . . . . 0.0 112.463 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.4 92.8 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.628 0.771 . . . . 0.0 112.39 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -57.77 -50.38 73.45 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.935 1.294 . . . . 0.0 111.073 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 123.596 0.758 . . . . 0.0 112.67 178.606 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo . . . . . 0 CA--C 1.538 0.715 0 CA-C-O 121.827 0.678 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.3 tt -59.72 -31.87 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -173.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.3 -27.38 68.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.965 0.906 . . . . 0.0 113.049 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -85.37 -52.75 5.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.46 0.704 . . . . 0.0 112.036 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.93 -32.01 73.4 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.524 1.056 . . . . 0.0 113.198 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -67.24 -29.43 69.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.524 0.73 . . . . 0.0 112.875 173.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.71 -33.5 31.09 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.358 -0.839 . . . . 0.0 112.808 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.03 -44.99 95.53 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.275 -0.891 . . . . 0.0 111.65 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.88 -37.2 85.96 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.623 1.101 . . . . 0.0 112.191 178.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -66.7 -44.85 80.58 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.605 0.762 . . . . 0.0 111.51 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.05 -33.47 74.63 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -67.5 -28.23 67.67 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.223 1.009 . . . . 0.0 112.802 172.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.0 mtt -82.3 -9.01 59.64 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.14 1.376 . . . . 0.0 113.354 170.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.61 0 C-N-CA 124.923 1.249 . . . . 0.0 115.923 -178.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.9 tpt . . . . . 0 CA--C 1.544 0.719 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -71.23 -31.57 67.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.082 0.953 . . . . 0.0 113.018 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -71.72 -47.33 54.58 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.73 0.812 . . . . 0.0 111.186 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -63.58 -38.93 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.37 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -58.44 -49.08 78.59 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.822 1.192 . . . . 0.0 111.545 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -63.57 -49.67 72.48 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.931 0.787 . . . . 0.0 112.502 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.02 -46.84 82.66 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.716 0.689 . . . . 0.0 112.019 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.46 -33.29 62.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 122.933 0.493 . . . . 0.0 112.305 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.38 -42.42 83.41 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.971 0.805 . . . . 0.0 112.414 170.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -64.58 -41.48 96.24 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.383 1.073 . . . . 0.0 111.544 178.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 t -62.45 -46.61 87.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.257 1.023 . . . . 0.0 112.897 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.81 -38.72 89.18 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.166 -0.959 . . . . 0.0 112.78 175.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.7 m -59.91 -41.75 92.39 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.106 -0.996 . . . . 0.0 112.061 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.66 -32.74 73.63 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.321 -0.862 . . . . 0.0 113.009 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -56.68 -49.26 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 121.378 -0.826 . . . . 0.0 109.788 171.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.19 -36.88 84.23 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.027 0.931 . . . . 0.0 113.036 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -61.86 -45.48 93.6 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.193 0.906 . . . . 0.0 112.404 173.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.54 -40.16 80.81 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.436 0.695 . . . . 0.0 112.073 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -65.52 -39.71 92.14 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.869 0.759 . . . . 0.0 112.053 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.29 96.89 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.477 0.711 . . . . 0.0 112.142 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.7 91.68 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 124.372 1.069 . . . . 0.0 111.459 176.13 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 CA--C 1.538 0.697 0 N-CA-C 114.044 0.748 . . . . 0.0 114.044 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 tp -55.61 -37.39 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.278 1.431 . . . . 0.0 113.225 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -66.59 -39.34 88.37 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.922 0.889 . . . . 0.0 112.158 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.95 -48.84 42.29 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.985 0.914 . . . . 0.0 112.067 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.76 -33.08 74.85 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.802 1.183 . . . . 0.0 112.734 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.9 t -61.67 -48.62 79.97 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.959 0.903 . . . . 0.0 111.755 168.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.94 80.86 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.55 -1.344 . . . . 0.0 113.021 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.7 -51.85 56.09 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.528 1.131 . . . . 0.0 112.042 175.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.75 -33.52 76.16 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.419 1.463 . . . . 0.0 112.465 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -62.24 -54.5 39.96 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.928 0.891 . . . . 0.0 111.588 174.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.91 -26.14 63.08 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -61.94 -42.43 99.09 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.17 -0.956 . . . . 0.0 111.948 169.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 73.0 mtm . . . . . 0 CA--C 1.545 0.769 0 C-N-CA 124.713 1.205 . . . . 0.0 114.169 172.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -37.08 68.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.23 1.012 . . . . 0.0 113.0 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -64.36 -28.29 69.6 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -79.76 -45.2 19.29 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.145 -0.972 . . . . 0.0 110.924 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.16 -38.94 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.613 0.765 . . . . 0.0 111.985 172.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -58.9 -49.77 76.54 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.488 1.04 . . . . 0.0 111.667 172.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.71 -48.63 79.87 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.321 0.964 . . . . 0.0 112.964 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.01 -53.05 62.75 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.793 0.837 . . . . 0.0 112.477 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.38 -35.15 65.88 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.56 74.77 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.614 0.643 . . . . 0.0 112.61 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.9 -44.01 81.89 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.177 0.899 . . . . 0.0 111.556 174.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 22.2 t -58.95 -43.35 91.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.891 0.477 . . . . 0.0 112.273 173.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.17 -42.39 99.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.304 1.041 . . . . 0.0 112.295 172.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 70.8 m -60.17 -39.54 86.8 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.855 -1.153 . . . . 0.0 111.798 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -65.64 -32.97 74.83 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.441 1.019 . . . . 0.0 112.686 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.78 -50.02 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.694 1.134 . . . . 0.0 109.493 169.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.33 -42.33 95.4 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.948 0.899 . . . . 0.0 112.229 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -59.0 -46.81 87.25 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.258 0.936 . . . . 0.0 112.187 175.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.87 -35.31 62.31 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -62.33 -40.83 97.67 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.002 0.819 . . . . 0.0 111.689 170.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.69 85.45 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.87 89.99 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.412 -0.805 . . . . 0.0 112.137 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -63.24 -41.85 99.12 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.827 0.851 . . . . 0.0 111.426 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 . . . . . 0 CA--C 1.543 0.688 0 O-C-N 121.292 -0.88 . . . . 0.0 112.405 172.293 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo . . . . . 0 CA--C 1.539 0.74 0 N-CA-C 113.932 0.705 . . . . 0.0 113.932 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.6 tp -59.54 -37.25 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.155 0.982 . . . . 0.0 113.061 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -69.57 -29.59 67.19 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -72.39 -52.41 16.15 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.91 0.884 . . . . 0.0 111.272 177.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.89 -30.87 71.54 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.282 -0.887 . . . . 0.0 112.857 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -66.95 -33.06 74.75 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.321 1.048 . . . . 0.0 112.674 170.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.96 -33.34 61.9 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.078 -1.638 . . . . 0.0 112.942 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.15 -46.23 78.19 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.077 0.951 . . . . 0.0 111.452 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.33 -33.06 74.98 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.734 1.152 . . . . 0.0 112.54 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -66.04 -50.26 64.82 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.068 0.849 . . . . 0.0 112.48 173.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -72.87 -27.19 61.77 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -66.34 -34.44 77.98 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.084 -1.01 . . . . 0.0 111.927 167.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.2 mtm -80.62 3.64 21.24 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.313 1.445 . . . . 0.0 113.801 169.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.589 0 C-N-CA 125.801 1.667 . . . . 0.0 115.902 175.101 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.8 mmt . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.27 -28.37 69.68 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -82.22 -45.05 15.57 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.488 1.115 . . . . 0.0 111.34 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.66 -40.43 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.584 0.753 . . . . 0.0 111.668 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.37 -50.74 72.79 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.899 0.772 . . . . 0.0 111.679 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -69.28 -39.19 78.51 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.36 -46.62 87.85 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.197 0.908 . . . . 0.0 111.841 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 tp -74.48 -30.69 61.93 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.309 0.644 . . . . 0.0 112.719 -176.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.66 83.2 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.424 -0.798 . . . . 0.0 112.606 170.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -63.83 -45.48 89.39 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.765 0.826 . . . . 0.0 112.247 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.1 p -66.06 -39.53 90.16 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.73 -41.9 98.25 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.936 -1.102 . . . . 0.0 111.991 172.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.3 m -59.83 -41.55 91.6 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.547 -0.721 . . . . 0.0 111.597 176.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -64.35 -35.3 80.42 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.278 -0.889 . . . . 0.0 113.082 177.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.51 -49.65 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.428 1.013 . . . . 0.0 109.571 172.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -59.37 -43.59 92.84 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.44 0.696 . . . . 0.0 112.315 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -60.75 -47.57 85.68 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.245 1.018 . . . . 0.0 112.704 175.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.28 -45.62 83.73 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.26 -42.14 99.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.762 0.825 . . . . 0.0 111.59 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.82 90.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.567 0.747 . . . . 0.0 112.362 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.38 92.48 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.536 -0.727 . . . . 0.0 112.657 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 124.732 1.213 . . . . 0.0 111.12 177.064 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 CA--C 1.536 0.61 0 N-CA-C 113.957 0.714 . . . . 0.0 113.957 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.9 tt -60.33 -35.73 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -168.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.75 -33.05 74.34 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.95 -57.42 5.04 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.733 0.813 . . . . 0.0 110.984 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.27 -29.52 70.83 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.33 0.968 . . . . 0.0 113.191 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 33.6 t -73.83 -35.2 64.8 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.915 0.886 . . . . 0.0 112.673 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.01 -31.54 58.97 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.073 -1.017 . . . . 0.0 112.616 172.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mp -62.7 -46.94 85.8 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.242 -0.911 . . . . 0.0 111.794 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.81 -35.8 82.27 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.388 0.994 . . . . 0.0 112.454 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -68.09 -41.18 82.24 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.762 0.825 . . . . 0.0 111.875 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -68.41 -32.96 73.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.835 0.854 . . . . 0.0 113.236 173.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -67.05 -25.67 66.37 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.637 -1.289 . . . . 0.0 113.102 170.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 36.3 mtt . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 125.919 1.688 . . . . 0.0 112.972 169.543 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 120.375 0.131 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -39.72 78.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.006 1.322 . . . . 0.0 113.179 -174.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -68.06 -27.63 66.68 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.418 -0.801 . . . . 0.0 112.63 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -72.46 -51.69 19.08 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.294 -0.879 . . . . 0.0 110.953 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.6 tt -63.97 -38.03 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.078 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -57.89 -45.11 86.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.184 1.357 . . . . 0.0 112.476 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -68.86 -47.02 66.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.493 0.588 . . . . 0.0 111.865 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 61.6 tp -67.18 -41.39 85.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.535 1.134 . . . . 0.0 113.32 -174.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.8 tp -79.25 -22.83 44.23 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.599 1.16 . . . . 0.0 112.732 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.88 -32.6 61.91 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.237 -0.914 . . . . 0.0 113.169 168.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -62.72 -42.48 99.67 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.894 1.278 . . . . 0.0 112.753 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 65.8 p -65.96 -45.47 81.62 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.183 0.593 . . . . 0.0 111.968 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.03 -38.31 82.37 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.803 1.241 . . . . 0.0 112.517 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.4 m -60.24 -40.65 91.0 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.97 0.908 . . . . 0.0 111.776 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -73.28 -33.38 65.19 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.045 -1.034 . . . . 0.0 112.735 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 96.2 mt -57.83 -50.22 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.899 0.88 . . . . 0.0 110.267 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -61.27 -42.48 98.7 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.182 0.993 . . . . 0.0 112.195 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -59.13 -47.47 85.16 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.996 1.318 . . . . 0.0 112.082 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.84 -45.72 84.92 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.411 0.684 . . . . 0.0 112.786 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -61.53 -41.72 97.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.269 0.628 . . . . 0.0 111.957 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.67 91.79 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.663 0.785 . . . . 0.0 112.493 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.24 91.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -63.13 -42.99 99.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.451 1.1 . . . . 0.0 111.515 177.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 . . . . . 0 CA--C 1.543 0.704 0 O-C-N 121.07 -1.018 . . . . 0.0 112.925 176.292 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.537 0.643 0 CA-C-O 122.208 0.837 . . . . 0.0 114.094 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.8 tt -61.42 -35.6 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.538 1.135 . . . . 0.0 113.53 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.87 -32.76 74.24 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.685 -0.634 . . . . 0.0 111.697 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -72.56 -50.11 27.8 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.306 -0.871 . . . . 0.0 111.969 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.74 -33.08 75.03 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.556 1.071 . . . . 0.0 112.85 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.1 t -61.85 -47.98 82.59 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.889 0.876 . . . . 0.0 111.912 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.0 79.37 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.236 -0.915 . . . . 0.0 112.358 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.18 -52.41 62.48 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.271 1.028 . . . . 0.0 111.44 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.84 -35.95 81.65 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.236 1.38 . . . . 0.0 111.989 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mtm105 -71.75 -37.59 70.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.82 0.848 . . . . 0.0 112.501 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -70.25 -28.79 65.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.847 0.859 . . . . 0.0 113.301 171.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.9 -30.29 71.28 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.951 1.251 . . . . 0.0 111.856 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.2 mtm -85.43 -1.81 57.44 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.968 1.307 . . . . 0.0 114.188 168.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.284 0 C-N-CA 124.842 1.21 . . . . 0.0 114.621 -177.344 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -79.67 -25.64 41.24 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -72.01 -45.03 62.44 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.464 -0.773 . . . . 0.0 111.228 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 tt -60.42 -40.38 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.736 0.814 . . . . 0.0 111.737 170.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -34.65 73.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.288 0.949 . . . . 0.0 112.201 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -82.51 -53.54 5.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.444 1.098 . . . . 0.0 112.562 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.57 -41.14 89.01 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.516 0.726 . . . . 0.0 112.368 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 tp -71.07 -33.81 70.59 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.701 -0.625 . . . . 0.0 111.973 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.82 87.59 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.703 0.801 . . . . 0.0 112.546 170.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -59.16 -45.5 90.83 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.298 1.839 . . . . 0.0 111.09 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -65.69 -45.29 83.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.312 1.045 . . . . 0.0 112.8 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.31 -39.42 86.94 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.427 1.091 . . . . 0.0 112.174 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.9 m -61.48 -38.02 85.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.578 -0.702 . . . . 0.0 112.187 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -66.25 -33.38 75.62 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.134 -0.979 . . . . 0.0 113.176 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.85 -47.39 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 118.642 0.655 . . . . 0.0 109.669 171.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -61.28 -40.58 94.64 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.6 0.76 . . . . 0.0 112.364 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -58.75 -50.9 72.23 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.331 0.969 . . . . 0.0 112.151 173.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.38 -47.73 82.87 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.828 0.851 . . . . 0.0 111.91 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -64.85 -40.5 95.26 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.436 0.694 . . . . 0.0 112.287 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.67 95.82 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.604 0.638 . . . . 0.0 112.443 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.73 90.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.333 0.653 . . . . 0.0 112.298 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 124.218 1.007 . . . . 0.0 111.071 178.872 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 CA--C 1.539 0.763 0 CA-C-O 122.53 0.971 . . . . 0.0 114.519 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 20.7 tt -56.23 -38.36 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.991 1.716 . . . . 0.0 114.327 -173.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -67.95 -28.92 67.88 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.458 -0.776 . . . . 0.0 112.534 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -78.95 -54.87 5.6 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.679 0.792 . . . . 0.0 111.387 175.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.9 pp -61.56 -32.93 73.03 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.845 -1.16 . . . . 0.0 112.955 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 31.5 t -68.61 -27.18 65.8 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.906 1.282 . . . . 0.0 113.128 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.15 -30.23 21.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.384 1.074 . . . . 0.0 113.194 169.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.27 -41.03 97.1 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.356 -0.84 . . . . 0.0 111.586 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -59.59 -39.4 84.03 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.535 1.061 . . . . 0.0 111.962 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -68.98 -40.22 78.94 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.807 1.243 . . . . 0.0 112.359 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.1 -31.82 72.55 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -70.78 -30.35 66.8 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 120.814 -1.179 . . . . 0.0 112.939 169.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 32.6 mtt . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 125.18 1.392 . . . . 0.0 113.261 169.916 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 71.4 m . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -40.5 80.39 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.206 1.002 . . . . 0.0 112.976 -172.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -67.97 -26.57 65.99 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -80.72 -42.77 21.35 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.64 -1.287 . . . . 0.0 112.243 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 11.0 tt -61.32 -38.89 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.168 0.894 . . . . 0.0 111.203 170.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.78 -51.18 71.08 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.967 0.803 . . . . 0.0 111.921 172.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -62.3 -48.28 80.59 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.722 0.692 . . . . 0.0 112.659 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.36 -44.54 97.0 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.966 0.803 . . . . 0.0 111.326 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.3 tp -72.79 -34.57 67.01 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.98 75.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.192 0.997 . . . . 0.0 113.394 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -63.76 -46.58 84.65 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.884 1.274 . . . . 0.0 111.75 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 70.1 m -65.51 -41.96 92.62 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.556 0.742 . . . . 0.0 112.863 172.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.14 -39.96 92.01 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.264 0.938 . . . . 0.0 112.321 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 85.4 m -61.18 -42.32 98.36 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.325 -0.859 . . . . 0.0 111.734 173.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -69.54 -32.95 72.07 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.1 -51.76 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.406 1.003 . . . . 0.0 109.915 168.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.06 -40.19 94.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.379 1.072 . . . . 0.0 112.573 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -58.82 -49.36 77.99 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.528 1.131 . . . . 0.0 111.836 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.23 -39.22 82.39 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -60.1 -45.4 93.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.363 0.665 . . . . 0.0 112.319 172.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.34 98.91 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.768 0.713 . . . . 0.0 112.29 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.35 87.9 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.454 0.701 . . . . 0.0 112.835 176.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -65.86 -42.32 90.58 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.641 0.777 . . . . 0.0 111.707 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? . . . . . 0 CA--C 1.538 0.496 0 O-C-N 120.844 -1.16 . . . . 0.0 112.395 176.858 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 CA--C 1.538 0.722 0 CA-C-O 122.065 0.777 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.6 tt -61.35 -28.55 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -63.34 -35.65 81.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.423 0.689 . . . . 0.0 112.182 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -74.2 -48.91 25.91 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.827 0.851 . . . . 0.0 112.037 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.27 -31.91 71.7 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.218 0.917 . . . . 0.0 112.349 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.9 t -62.35 -45.39 93.42 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.824 0.85 . . . . 0.0 112.088 167.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.33 -35.89 81.88 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.834 -1.166 . . . . 0.0 112.661 174.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.9 -46.18 79.27 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.241 -0.912 . . . . 0.0 112.096 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' B' ' 145' ' ' LEU . 1.5 pp -64.1 -36.05 82.77 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.223 1.374 . . . . 0.0 112.183 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -65.75 -45.98 80.54 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.455 1.102 . . . . 0.0 111.641 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -68.69 -35.54 77.32 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.369 1.067 . . . . 0.0 113.398 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -66.24 -27.44 67.97 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.052 -1.03 . . . . 0.0 113.389 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.4 mtt -86.47 -5.41 59.16 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.698 1.199 . . . . 0.0 113.925 171.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.626 0 C-N-CA 124.943 1.259 . . . . 0.0 114.791 -179.879 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -74.64 -39.57 62.01 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.895 0.878 . . . . 0.0 112.191 170.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -64.66 -42.2 95.57 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.424 0.69 . . . . 0.0 111.686 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.16 -42.7 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.353 0.661 . . . . 0.0 112.364 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -62.33 -43.38 98.96 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.248 0.931 . . . . 0.0 111.599 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.28 -52.09 66.18 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.358 0.663 . . . . 0.0 112.203 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.29 -41.68 98.71 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.435 0.694 . . . . 0.0 112.433 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.7 tp -77.31 -34.33 55.41 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.656 -0.652 . . . . 0.0 112.39 -174.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.44 77.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.899 0.88 . . . . 0.0 112.65 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -56.49 -46.36 80.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.999 1.72 . . . . 0.0 110.904 174.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -64.42 -46.62 82.41 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 173.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.65 -40.71 95.88 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.914 0.886 . . . . 0.0 112.672 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.3 m -61.46 -38.35 86.92 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.263 -0.898 . . . . 0.0 111.849 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.06 -32.71 74.08 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.161 -0.962 . . . . 0.0 113.297 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.26 -47.98 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.356 0.662 . . . . 0.0 109.971 172.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.29 -39.09 93.22 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.644 1.178 . . . . 0.0 112.802 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -58.85 -47.56 84.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.216 1.006 . . . . 0.0 111.862 172.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.11 -46.85 82.36 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.333 0.653 . . . . 0.0 111.624 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.15 -40.75 97.03 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.694 0.798 . . . . 0.0 112.72 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.82 88.74 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.556 0.616 . . . . 0.0 112.019 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.57 -47.6 75.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.659 0.784 . . . . 0.0 112.183 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 125.348 1.459 . . . . 0.0 111.559 178.597 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo . . . . . 0 CA--C 1.535 0.556 0 CA-C-O 121.712 0.63 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.8 tt -58.63 -29.52 39.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -63.77 -36.37 83.66 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.425 0.69 . . . . 0.0 112.515 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -72.95 -49.92 26.49 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.302 0.641 . . . . 0.0 111.815 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.31 -32.17 73.42 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.223 0.92 . . . . 0.0 112.384 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 17.7 t -61.0 -47.98 83.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.196 0.998 . . . . 0.0 112.371 168.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.2 -33.97 77.26 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.134 -0.979 . . . . 0.0 112.365 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.17 -52.9 52.18 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.29 1.036 . . . . 0.0 111.828 174.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.68 -33.57 76.26 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.618 1.554 . . . . 0.0 112.62 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 47.1 mtm105 -68.74 -43.38 75.99 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.075 0.852 . . . . 0.0 112.897 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.39 -26.68 60.25 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.733 1.151 . . . . 0.0 112.825 176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -67.64 -37.46 82.48 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.052 -1.03 . . . . 0.0 112.519 169.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 73.3 mtm . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 169.549 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -36.13 73.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.824 1.25 . . . . 0.0 112.681 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -64.16 -29.48 70.59 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.179 -0.95 . . . . 0.0 112.909 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -75.08 -43.84 50.83 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.96 0.904 . . . . 0.0 111.473 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 12.7 tt -66.92 -38.84 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.101 0.96 . . . . 0.0 112.088 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -56.24 -42.97 78.2 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.122 0.874 . . . . 0.0 111.473 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.73 -56.07 15.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.731 0.812 . . . . 0.0 111.893 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.46 -44.53 96.18 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.474 -0.766 . . . . 0.0 112.479 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.48 -36.53 71.18 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.208 0.603 . . . . 0.0 112.479 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.22 85.89 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -61.15 -50.76 71.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.496 0.718 . . . . 0.0 112.111 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 10.3 t -60.5 -40.2 90.48 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.9 tm? -62.22 -43.11 99.58 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.43 1.092 . . . . 0.0 112.512 172.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.1 m -61.35 -35.89 78.69 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.928 -1.107 . . . . 0.0 112.156 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -68.49 -32.88 73.16 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.448 -0.782 . . . . 0.0 112.764 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.3 -51.55 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 119.498 1.045 . . . . 0.0 109.84 170.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.36 -41.98 81.18 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.946 0.898 . . . . 0.0 111.822 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -63.16 -48.39 78.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.66 1.184 . . . . 0.0 112.192 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.15 -36.32 74.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -62.12 -43.15 99.46 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.751 0.705 . . . . 0.0 111.195 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.22 98.21 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.366 0.666 . . . . 0.0 112.585 174.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.85 96.9 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.524 0.73 . . . . 0.0 112.688 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -63.08 -43.26 99.03 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.41 1.084 . . . . 0.0 111.246 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 N--CA 1.473 0.685 0 C-N-CA 123.859 0.864 . . . . 0.0 113.17 175.542 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 CA--C 1.538 0.702 0 N-CA-C 113.818 0.661 . . . . 0.0 113.818 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.5 tt -59.44 -35.96 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -66.16 -27.69 68.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.797 0.839 . . . . 0.0 112.798 175.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.5 -52.73 6.93 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.437 0.695 . . . . 0.0 112.014 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.13 -33.87 76.4 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.306 1.412 . . . . 0.0 113.234 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -68.49 -27.41 66.12 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.913 1.285 . . . . 0.0 113.417 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.89 -36.94 23.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.308 1.043 . . . . 0.0 112.168 170.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.63 -40.85 97.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.302 1.041 . . . . 0.0 112.157 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.32 -34.11 77.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.034 1.288 . . . . 0.0 112.649 176.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -70.08 -41.0 74.68 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.046 0.939 . . . . 0.0 111.543 172.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.15 -35.12 79.74 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.094 1.358 . . . . 0.0 112.744 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.43 -27.11 65.91 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.191 -0.943 . . . . 0.0 113.095 171.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.1 mtt -80.55 -6.88 58.89 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.882 1.273 . . . . 0.0 113.125 168.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.414 0 C-N-CA 125.744 1.64 . . . . 0.0 115.656 -179.673 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -72.35 -27.14 62.22 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 173.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -79.26 -49.31 12.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.853 0.861 . . . . 0.0 111.588 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.2 tt -61.1 -38.13 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.028 0.931 . . . . 0.0 112.412 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.97 -43.59 94.98 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.188 0.904 . . . . 0.0 111.853 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -70.97 -45.71 63.61 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.732 -0.605 . . . . 0.0 112.117 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.41 -43.06 82.17 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.078 1.351 . . . . 0.0 113.101 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.45 -35.8 68.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.731 0.812 . . . . 0.0 111.879 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.92 83.34 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 172.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -59.97 -47.5 85.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.19 0.996 . . . . 0.0 111.709 171.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 t -60.46 -42.95 97.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.519 0.728 . . . . 0.0 111.958 175.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.7 -42.13 99.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.402 1.081 . . . . 0.0 113.012 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.9 m -61.79 -39.28 91.14 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.058 -1.026 . . . . 0.0 112.552 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -65.23 -30.18 71.04 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.964 -1.085 . . . . 0.0 113.043 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.01 -48.79 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.247 -0.908 . . . . 0.0 110.133 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -64.05 -37.09 86.18 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.408 1.083 . . . . 0.0 112.382 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -61.32 -43.39 98.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.387 1.075 . . . . 0.0 112.424 174.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.71 -45.91 77.24 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.959 0.504 . . . . 0.0 111.703 175.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.98 -36.41 83.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.524 0.73 . . . . 0.0 112.954 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.44 94.17 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.108 0.867 . . . . 0.0 112.04 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.31 84.81 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.604 0.762 . . . . 0.0 112.889 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 124.441 1.097 . . . . 0.0 111.262 177.438 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo . . . . . 0 CA--C 1.539 0.741 0 N-CA-C 113.956 0.714 . . . . 0.0 113.956 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 14.7 tt -64.68 -29.45 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -169.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -67.11 -31.79 72.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.574 0.75 . . . . 0.0 112.085 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -74.33 -49.25 23.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.059 0.944 . . . . 0.0 111.752 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.54 -32.5 73.32 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.498 -0.751 . . . . 0.0 112.731 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 28.2 t -63.53 -45.66 89.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.279 0.632 . . . . 0.0 111.976 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.82 77.31 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.319 -1.488 . . . . 0.0 112.848 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.7 mp -63.73 -48.21 77.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.635 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.98 -34.57 78.04 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.261 1.391 . . . . 0.0 112.526 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -61.71 -50.67 71.49 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.608 0.763 . . . . 0.0 111.34 171.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -66.7 -33.7 76.21 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -62.14 -33.29 74.2 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.238 0.926 . . . . 0.0 112.593 172.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 23.6 mtt . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 125.018 1.327 . . . . 0.0 113.439 175.33 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -33.92 68.92 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -172.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.57 -27.74 64.36 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.269 -0.894 . . . . 0.0 113.208 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -72.54 -48.35 40.97 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.088 -1.007 . . . . 0.0 110.86 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.2 tt -65.48 -40.61 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.06 0.944 . . . . 0.0 111.856 176.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -58.71 -50.14 74.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.797 1.18 . . . . 0.0 111.648 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.67 -50.64 70.39 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.803 0.728 . . . . 0.0 112.078 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.58 -43.87 92.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.048 0.84 . . . . 0.0 112.432 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.3 tp -75.95 -30.99 58.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.397 0.679 . . . . 0.0 112.205 -175.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.53 -42.04 75.18 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.458 -0.776 . . . . 0.0 112.21 170.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.86 -46.54 88.99 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.697 1.599 . . . . 0.0 112.049 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 53.6 p -68.2 -39.45 82.46 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.058 0.943 . . . . 0.0 112.999 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.45 -39.78 94.49 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.008 0.822 . . . . 0.0 112.13 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 85.5 m -63.72 -38.22 90.29 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.376 -0.827 . . . . 0.0 111.41 175.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -66.77 -33.8 76.43 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.179 -0.951 . . . . 0.0 113.267 175.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.41 -52.49 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 119.691 1.132 . . . . 0.0 110.009 168.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -58.33 -42.42 86.74 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.744 0.817 . . . . 0.0 111.903 -178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -61.15 -46.48 90.38 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.792 0.837 . . . . 0.0 112.771 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.09 -38.39 72.4 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -62.77 -43.15 99.56 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.294 0.638 . . . . 0.0 111.494 173.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.2 94.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.788 0.835 . . . . 0.0 113.088 174.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.8 -42.88 90.13 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.848 0.859 . . . . 0.0 112.607 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -63.36 -40.3 96.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.984 0.914 . . . . 0.0 111.447 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 N--CA 1.476 0.873 0 O-C-N 121.069 -1.019 . . . . 0.0 112.991 173.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 CA--C 1.538 0.717 0 CA-C-O 121.956 0.732 . . . . 0.0 113.104 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.11 -28.59 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -172.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -62.12 -35.07 77.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.487 0.715 . . . . 0.0 112.174 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -77.57 -50.62 12.18 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.704 0.802 . . . . 0.0 112.207 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.41 -32.57 74.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.472 1.033 . . . . 0.0 112.526 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.3 m -70.86 -33.84 71.04 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.041 0.536 . . . . 0.0 112.181 173.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.72 -35.5 72.75 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.167 -0.958 . . . . 0.0 112.865 170.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.44 -50.36 71.8 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.212 0.914 . . . . 0.0 111.527 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.28 -35.98 82.59 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.784 1.174 . . . . 0.0 112.71 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -67.56 -41.19 84.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.985 0.914 . . . . 0.0 112.244 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -70.64 -35.41 72.89 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.893 0.877 . . . . 0.0 112.898 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.94 -31.77 72.88 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.879 -1.138 . . . . 0.0 112.891 173.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.3 mtt -80.17 -7.38 58.92 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.397 1.079 . . . . 0.0 113.817 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.597 0 C-N-CA 124.686 1.136 . . . . 0.0 114.735 177.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -68.16 -33.67 74.89 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.346 -0.846 . . . . 0.0 112.95 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -67.33 -47.83 69.32 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.577 -0.702 . . . . 0.0 111.786 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 tt -67.2 -39.23 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.457 0.703 . . . . 0.0 112.409 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.29 -48.37 80.69 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.109 0.868 . . . . 0.0 111.765 174.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.59 -50.65 68.58 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.313 0.506 . . . . 0.0 112.245 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.9 -46.6 89.98 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.752 0.706 . . . . 0.0 112.426 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.2 tp -74.84 -35.04 62.4 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.892 -0.505 . . . . 0.0 112.254 -173.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.58 85.19 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.465 -0.772 . . . . 0.0 112.765 170.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.51 -45.49 92.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.108 1.363 . . . . 0.0 111.631 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -60.16 -45.46 92.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.537 0.735 . . . . 0.0 112.521 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.05 -44.25 97.09 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.062 0.945 . . . . 0.0 112.7 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.1 m -60.22 -36.71 78.3 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.05 -1.032 . . . . 0.0 112.353 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -67.22 -32.91 74.27 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.262 -0.899 . . . . 0.0 112.778 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.51 -50.68 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 119.111 0.869 . . . . 0.0 110.069 172.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.23 -38.41 90.96 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.358 1.063 . . . . 0.0 112.21 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -59.68 -47.07 87.1 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.249 1.02 . . . . 0.0 111.939 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.46 -45.34 84.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.373 0.669 . . . . 0.0 112.142 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.02 -40.18 94.48 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.913 0.778 . . . . 0.0 112.886 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.41 -45.96 92.15 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.314 0.646 . . . . 0.0 111.805 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.53 81.44 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.342 0.657 . . . . 0.0 112.476 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 CA--C 1.54 0.572 0 C-N-CA 124.859 1.264 . . . . 0.0 111.891 179.16 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo . . . . . 0 CA--C 1.537 0.641 0 CA-C-O 121.42 0.508 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 9.6 tt -62.35 -27.71 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -64.6 -27.95 69.29 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.267 -0.896 . . . . 0.0 113.386 174.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.17 -51.26 12.5 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.35 0.977 . . . . 0.0 111.972 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.47 -31.33 72.49 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.114 -0.991 . . . . 0.0 112.192 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 49.1 m -70.48 -41.4 72.77 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.383 0.673 . . . . 0.0 112.331 171.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.98 74.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.977 -1.077 . . . . 0.0 112.322 174.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.89 -49.99 66.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.356 1.062 . . . . 0.0 111.961 173.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.7 -34.84 77.68 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.115 1.325 . . . . 0.0 112.762 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -63.9 -46.56 84.29 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 118.558 -0.734 . . . . 0.0 112.48 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.05 -26.12 61.18 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.019 0.827 . . . . 0.0 113.101 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.4 -28.36 69.73 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.285 -0.884 . . . . 0.0 113.256 168.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 74.1 mtm . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 125.552 1.541 . . . . 0.0 114.255 179.048 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.474 0.773 0 CA-C-O 120.396 0.141 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -36.64 72.27 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.333 1.053 . . . . 0.0 112.881 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -22.8 63.16 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 175.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.87 -49.25 18.46 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.359 0.982 . . . . 0.0 110.379 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.7 tt -67.11 -40.78 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.639 1.175 . . . . 0.0 112.003 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.62 -36.44 78.63 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.235 0.925 . . . . 0.0 111.989 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -73.06 -58.28 3.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.007 0.821 . . . . 0.0 112.361 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.06 -43.58 98.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.689 0.796 . . . . 0.0 113.13 -173.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 21.0 tp -75.26 -23.74 57.52 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.896 0.879 . . . . 0.0 112.921 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -81.19 -37.13 29.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.922 0.889 . . . . 0.0 113.315 168.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -59.69 -51.85 68.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.071 1.349 . . . . 0.0 111.147 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 44.5 p -62.51 -39.36 93.26 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.147 0.979 . . . . 0.0 112.714 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.32 -39.69 91.45 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.034 -1.041 . . . . 0.0 112.331 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 97.0 m -60.93 -35.74 77.5 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.005 -1.059 . . . . 0.0 112.016 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.44 -31.84 67.67 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.993 -1.067 . . . . 0.0 113.143 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 78.9 mt -58.82 -52.89 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.657 1.117 . . . . 0.0 109.451 169.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -57.59 -42.58 83.47 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.196 0.999 . . . . 0.0 112.48 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -60.05 -48.88 79.89 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.103 0.961 . . . . 0.0 112.486 177.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.42 -35.35 60.99 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -60.97 -43.92 98.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.365 0.529 . . . . 0.0 111.551 171.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.82 98.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.412 0.685 . . . . 0.0 112.499 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.61 94.14 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.611 0.764 . . . . 0.0 112.904 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -66.08 -41.5 90.62 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.806 0.842 . . . . 0.0 111.181 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 . . . . . 0 CA--C 1.549 0.912 0 O-C-N 120.664 -1.273 . . . . 0.0 113.009 176.123 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo . . . . . 0 CA--C 1.534 0.503 0 CA-C-O 121.925 0.719 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 tt -53.41 -35.92 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.967 1.307 . . . . 0.0 113.822 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -65.46 -32.73 74.5 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.46 0.704 . . . . 0.0 112.297 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.61 -47.2 33.64 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.243 -0.911 . . . . 0.0 112.072 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.56 -31.03 70.82 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.62 1.1 . . . . 0.0 112.216 175.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.5 t -65.8 -46.86 77.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.399 0.68 . . . . 0.0 111.653 169.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.58 75.46 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.422 -1.424 . . . . 0.0 112.412 174.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.88 -52.38 56.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.201 1.0 . . . . 0.0 112.649 174.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.9 -32.16 73.51 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.526 1.512 . . . . 0.0 112.826 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -63.83 -48.1 78.15 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.071 0.948 . . . . 0.0 110.762 171.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.95 -37.51 85.02 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.659 1.184 . . . . 0.0 112.832 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -64.46 -30.96 71.99 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.362 -0.837 . . . . 0.0 112.71 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.1 mtm -87.26 4.15 43.82 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.302 1.441 . . . . 0.0 114.065 171.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.576 0 C-N-CA 125.113 1.339 . . . . 0.0 115.524 179.704 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.2 mmt . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -71.39 -30.79 66.53 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 175.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -71.41 -45.46 62.66 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.044 0.938 . . . . 0.0 110.555 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.4 tt -69.45 -41.35 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.44 0.696 . . . . 0.0 111.736 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -58.83 -41.72 87.53 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.421 1.01 . . . . 0.0 112.267 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -71.21 -51.7 23.25 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.755 0.707 . . . . 0.0 111.768 176.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.46 -39.83 85.35 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.531 -0.731 . . . . 0.0 112.452 -172.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.6 tp -74.33 -27.07 60.52 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.503 1.121 . . . . 0.0 112.768 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.79 -31.99 63.54 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.314 -0.866 . . . . 0.0 112.16 168.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -64.13 -47.19 80.91 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.03 -1.044 . . . . 0.0 112.666 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.3 p -64.15 -39.84 94.89 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.415 0.686 . . . . 0.0 112.467 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.21 -44.88 92.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.438 1.017 . . . . 0.0 111.655 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.8 m -62.54 -32.26 73.18 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.264 -0.897 . . . . 0.0 112.052 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -67.78 -33.57 75.09 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.622 -1.299 . . . . 0.0 113.353 173.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.85 -46.66 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-N 119.023 0.829 . . . . 0.0 110.022 171.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -58.0 -46.19 85.62 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.332 1.053 . . . . 0.0 111.341 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -61.79 -42.84 99.51 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.578 1.151 . . . . 0.0 112.966 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.82 -48.73 80.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.578 0.751 . . . . 0.0 111.816 176.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.81 -35.51 77.08 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.76 0.824 . . . . 0.0 111.99 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.37 88.59 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.385 0.674 . . . . 0.0 112.424 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.0 96.62 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.47 -0.769 . . . . 0.0 112.704 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 CA--C 1.544 0.746 0 C-N-CA 124.185 0.994 . . . . 0.0 111.275 175.482 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 CA--C 1.535 0.525 0 CA-C-O 122.082 0.784 . . . . 0.0 113.122 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.2 tt -61.15 -30.05 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.354 1.062 . . . . 0.0 113.838 -173.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -68.72 -29.55 67.99 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.518 -0.739 . . . . 0.0 112.821 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -78.49 -45.1 22.84 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.798 0.839 . . . . 0.0 112.497 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.94 -32.83 74.35 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.469 1.031 . . . . 0.0 111.718 173.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.7 t -62.8 -46.7 86.77 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.642 0.777 . . . . 0.0 111.805 168.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -34.93 75.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.848 -1.158 . . . . 0.0 112.889 175.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.3 mp -67.2 -49.89 62.92 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.894 0.878 . . . . 0.0 112.472 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.7 -35.07 79.7 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.357 1.435 . . . . 0.0 112.412 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -62.62 -43.91 97.62 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.218 1.007 . . . . 0.0 112.107 172.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.54 -38.41 89.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.025 1.33 . . . . 0.0 112.515 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -62.54 -37.08 84.7 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.961 -1.087 . . . . 0.0 113.291 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 71.8 mtm . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 173.717 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 6.4 tpt -66.3 -22.08 66.28 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -168.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -79.0 -37.19 39.87 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.043 -1.036 . . . . 0.0 112.777 170.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.29 -38.62 78.4 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.342 -0.849 . . . . 0.0 112.166 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.0 tt -61.1 -43.33 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.139 0.576 . . . . 0.0 111.522 171.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -64.7 -41.22 96.17 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.527 0.603 . . . . 0.0 111.754 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.97 -53.99 50.48 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.932 0.893 . . . . 0.0 112.445 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.63 -42.61 99.14 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.658 0.783 . . . . 0.0 111.724 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.3 tp -76.31 -27.6 56.62 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.847 0.859 . . . . 0.0 112.815 -176.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.3 68.97 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.142 0.977 . . . . 0.0 112.359 169.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.04 -49.45 74.55 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.269 0.627 . . . . 0.0 112.125 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 65.2 p -62.12 -37.82 86.57 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.92 -42.39 99.04 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.032 -1.043 . . . . 0.0 112.498 171.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.2 m -62.06 -38.08 87.4 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 121.186 -0.946 . . . . 0.0 112.074 176.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -66.92 -33.93 76.68 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.364 -0.835 . . . . 0.0 113.115 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.01 -51.27 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.269 -0.895 . . . . 0.0 110.09 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.84 -39.46 89.18 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.207 1.003 . . . . 0.0 111.961 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -58.62 -48.68 80.17 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.486 1.114 . . . . 0.0 111.737 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.77 -34.44 66.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.626 0.77 . . . . 0.0 112.59 -178.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -61.17 -43.83 98.26 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.286 0.948 . . . . 0.0 112.239 169.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.28 97.25 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.145 0.43 . . . . 0.0 112.121 176.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.98 90.82 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -62.3 -46.02 90.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.963 1.305 . . . . 0.0 111.387 177.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 . . . . . 0 CA--C 1.545 0.751 0 O-C-N 121.634 -0.666 . . . . 0.0 111.931 175.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 CA--C 1.543 0.957 0 N-CA-C 114.437 0.899 . . . . 0.0 114.437 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.79 -36.76 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -170.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -65.99 -25.35 67.05 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -82.17 -55.28 4.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.579 0.752 . . . . 0.0 111.326 173.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.18 -34.94 75.87 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.135 -0.978 . . . . 0.0 113.132 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.4 t -66.19 -34.76 78.76 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.793 0.837 . . . . 0.0 112.793 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.43 -40.13 44.48 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.12 -0.987 . . . . 0.0 111.492 172.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.51 -41.15 98.52 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.998 0.919 . . . . 0.0 112.721 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.74 -36.18 83.02 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.28 1.4 . . . . 0.0 112.098 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -71.47 -38.57 71.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.628 0.771 . . . . 0.0 111.905 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.35 -36.99 85.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.058 1.343 . . . . 0.0 112.723 173.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.84 -33.62 74.5 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.034 0.934 . . . . 0.0 112.529 171.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.1 mtm -82.89 -3.05 56.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.145 1.378 . . . . 0.0 114.645 171.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.397 0 O-C-N 121.031 -1.043 . . . . 0.0 113.699 -175.752 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.07 -26.95 65.2 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.988 0.915 . . . . 0.0 112.771 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -78.99 -43.5 24.25 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.213 -0.93 . . . . 0.0 111.581 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.91 -38.21 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.665 172.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.74 -31.83 66.85 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.927 1.239 . . . . 0.0 112.721 173.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.6 -60.07 2.52 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.173 0.989 . . . . 0.0 111.944 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -61.44 -42.93 99.52 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.0 0.92 . . . . 0.0 112.999 -173.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.75 -35.97 70.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.36 0.664 . . . . 0.0 112.276 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.16 -37.88 72.21 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.686 0.794 . . . . 0.0 112.319 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -62.03 -44.01 97.61 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.525 1.13 . . . . 0.0 111.43 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -63.25 -42.6 99.2 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.698 0.799 . . . . 0.0 111.943 174.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.85 -36.26 80.69 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.304 1.042 . . . . 0.0 112.525 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -60.2 -36.19 77.11 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.148 -0.97 . . . . 0.0 112.177 175.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -70.38 -36.95 74.44 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.246 -0.908 . . . . 0.0 112.15 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.6 -49.94 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 110.976 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -58.37 -43.54 88.48 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.923 0.889 . . . . 0.0 113.185 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -65.31 -43.39 91.18 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.115 0.566 . . . . 0.0 112.358 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.88 -38.9 79.97 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.565 0.746 . . . . 0.0 112.481 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -61.26 -46.05 91.96 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.272 0.629 . . . . 0.0 111.536 171.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.64 91.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.144 0.578 . . . . 0.0 112.448 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.84 92.37 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.109 -0.995 . . . . 0.0 112.726 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 124.135 0.974 . . . . 0.0 111.119 176.887 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo . . . . . 0 CA--C 1.535 0.574 0 CA-C-O 121.799 0.666 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.1 -25.57 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -175.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -61.29 -37.24 82.5 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.736 0.814 . . . . 0.0 112.546 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -75.02 -48.16 25.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.709 0.804 . . . . 0.0 112.169 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.25 -32.63 73.79 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 119.209 0.913 . . . . 0.0 112.442 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 18.5 t -62.2 -49.39 75.97 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.72 0.808 . . . . 0.0 111.58 167.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -33.13 72.5 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.706 -1.246 . . . . 0.0 112.577 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.35 -51.02 61.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.68 1.192 . . . . 0.0 112.094 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.96 -35.33 80.29 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.237 1.381 . . . . 0.0 112.107 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -65.17 -47.26 77.62 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.04 0.936 . . . . 0.0 112.594 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -72.68 -27.09 61.88 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.393 0.997 . . . . 0.0 113.637 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -66.51 -35.62 80.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.6 1.091 . . . . 0.0 112.479 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.7 mtt . . . . . 0 N--CA 1.476 0.866 0 C-N-CA 124.157 0.983 . . . . 0.0 113.241 170.033 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -33.25 64.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.437 1.095 . . . . 0.0 113.455 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -74.21 -27.47 60.8 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.062 -1.024 . . . . 0.0 113.019 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -71.74 -42.52 67.17 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 120.125 1.329 . . . . 0.0 111.488 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 9.4 tt -65.27 -38.96 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.615 0.766 . . . . 0.0 111.154 171.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -59.63 -46.75 88.07 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.403 1.001 . . . . 0.0 111.467 173.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -64.4 -48.16 76.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.988 0.915 . . . . 0.0 112.165 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.25 -48.28 78.89 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.64 -0.662 . . . . 0.0 111.419 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.1 tp -77.26 -23.85 51.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.547 0.739 . . . . 0.0 112.661 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.72 85.44 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.014 -1.054 . . . . 0.0 112.217 167.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.85 -46.2 90.5 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.946 1.298 . . . . 0.0 111.532 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 90.3 p -66.08 -42.56 89.19 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.94 -41.76 98.32 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.292 -0.88 . . . . 0.0 112.342 176.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 96.7 m -62.18 -39.59 93.21 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.373 -0.83 . . . . 0.0 111.786 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -68.09 -34.77 77.02 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.92 -52.16 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 118.825 0.738 . . . . 0.0 109.899 171.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -66.32 -36.09 82.05 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.34 1.056 . . . . 0.0 112.775 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -62.05 -46.8 87.54 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.413 1.085 . . . . 0.0 112.288 174.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.58 -40.85 84.83 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.464 0.705 . . . . 0.0 112.075 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.1 -40.89 95.18 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.598 0.635 . . . . 0.0 112.636 175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.31 97.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.507 0.723 . . . . 0.0 112.338 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.96 97.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.363 0.665 . . . . 0.0 112.718 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -64.48 -43.75 93.18 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.188 0.995 . . . . 0.0 111.48 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 . . . . . 0 CA--C 1.543 0.689 0 O-C-N 120.872 -1.143 . . . . 0.0 113.044 175.353 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo . . . . . 0 CA--C 1.533 0.443 0 CA-C-O 122.313 0.88 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 tt -58.99 -31.33 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.629 1.172 . . . . 0.0 113.654 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.08 -34.45 77.61 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.24 -0.912 . . . . 0.0 112.631 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -74.35 -50.09 20.14 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.828 0.851 . . . . 0.0 112.208 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.92 -30.01 70.53 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.665 1.12 . . . . 0.0 112.166 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -67.99 -33.16 74.1 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.169 0.987 . . . . 0.0 113.193 170.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.67 -34.54 62.72 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 119.985 -1.697 . . . . 0.0 112.558 171.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.55 -42.39 98.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.904 0.882 . . . . 0.0 112.218 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' B' ' 145' ' ' LEU . 2.6 pp -65.92 -39.51 90.59 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.493 1.042 . . . . 0.0 112.537 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -66.66 -42.08 87.16 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.593 0.633 . . . . 0.0 111.104 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -66.05 -36.13 82.39 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -66.03 -33.13 75.11 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.48 1.036 . . . . 0.0 113.214 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.4 mtt -76.85 -10.65 59.52 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.538 1.135 . . . . 0.0 113.665 172.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.415 0 C-N-CA 124.819 1.199 . . . . 0.0 113.87 -173.593 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 50.6 tpp . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -67.78 -27.37 66.7 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.575 -1.328 . . . . 0.0 113.46 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -68.42 -44.69 74.44 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.784 0.834 . . . . 0.0 110.84 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.1 tt -73.41 -37.99 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.018 0.927 . . . . 0.0 111.698 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -55.74 -48.16 75.71 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.339 0.972 . . . . 0.0 111.319 170.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.35 -46.91 78.3 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.683 0.793 . . . . 0.0 113.089 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.1 mt -62.05 -50.46 71.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.203 0.911 . . . . 0.0 112.278 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 tp -76.03 -32.78 59.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.339 0.655 . . . . 0.0 112.629 -169.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.84 -30.69 68.24 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -66.21 -43.09 87.71 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.575 1.15 . . . . 0.0 111.828 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.3 m -63.64 -41.68 98.21 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.84 -41.2 95.33 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.929 0.891 . . . . 0.0 112.081 175.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.6 m -61.32 -42.3 98.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.445 0.698 . . . . 0.0 111.672 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -67.23 -33.3 75.07 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.395 -0.815 . . . . 0.0 113.194 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.32 -47.69 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 121.411 -0.806 . . . . 0.0 110.101 171.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -64.81 -36.16 83.42 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.376 1.071 . . . . 0.0 112.858 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.1 mtp-105 -62.18 -41.26 98.16 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.652 0.781 . . . . 0.0 112.382 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.79 -48.7 70.91 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.263 1.025 . . . . 0.0 111.169 174.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -65.44 -33.27 75.55 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.54 89.41 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.998 0.817 . . . . 0.0 112.6 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.43 -43.99 65.7 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.731 0.812 . . . . 0.0 112.485 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 124.21 1.004 . . . . 0.0 111.796 -179.491 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 CA--C 1.534 0.516 0 CA-C-O 121.471 0.53 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 tt -61.91 -26.93 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -170.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -62.41 -26.4 68.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.661 0.785 . . . . 0.0 112.977 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -80.0 -55.74 4.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.631 0.773 . . . . 0.0 111.188 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.34 -34.62 78.76 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.263 0.938 . . . . 0.0 112.731 -176.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.4 t -67.28 -34.64 77.84 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.668 1.187 . . . . 0.0 113.315 173.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.95 -38.59 66.71 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.546 -0.721 . . . . 0.0 111.943 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.59 -45.22 91.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.098 0.959 . . . . 0.0 112.488 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.37 -34.91 79.02 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.216 1.371 . . . . 0.0 112.539 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -66.52 -44.89 81.26 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.145 0.578 . . . . 0.0 111.629 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.18 -39.62 90.84 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.836 1.254 . . . . 0.0 112.689 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -63.94 -38.12 89.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.909 0.884 . . . . 0.0 112.58 173.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 CA--C 1.55 0.943 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 171.281 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.7 mmt -58.42 -31.03 67.34 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.69 -28.24 65.68 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.13 -0.981 . . . . 0.0 113.198 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -73.17 -49.14 29.82 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.024 -1.047 . . . . 0.0 111.492 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.9 tt -63.59 -41.94 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.029 0.932 . . . . 0.0 112.318 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -61.72 -44.87 96.08 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.74 0.7 . . . . 0.0 111.736 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -65.9 -48.87 70.01 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.567 0.621 . . . . 0.0 112.669 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.42 -46.26 90.85 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.44 -0.788 . . . . 0.0 112.202 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.4 tp -69.88 -36.72 75.69 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.668 0.787 . . . . 0.0 112.323 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.02 81.95 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.196 0.814 . . . . 0.0 113.196 173.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -65.37 -44.62 87.03 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.515 1.052 . . . . 0.0 112.108 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 8.7 t -61.54 -40.01 93.14 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.991 -0.443 . . . . 0.0 111.966 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 18' ' ' LEU . 2.4 tm? -63.03 -42.05 99.67 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.142 0.977 . . . . 0.0 112.758 171.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 65.4 m -61.29 -38.32 86.34 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 120.844 -1.16 . . . . 0.0 111.966 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -65.52 -32.53 74.18 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.209 -0.932 . . . . 0.0 113.045 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.76 -51.0 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.516 1.053 . . . . 0.0 109.953 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -59.13 -42.24 90.18 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.138 0.975 . . . . 0.0 111.889 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -64.5 -43.09 95.22 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.884 1.274 . . . . 0.0 112.866 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.81 -37.88 79.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.112 0.869 . . . . 0.0 112.618 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -59.32 -46.21 89.2 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.911 0.778 . . . . 0.0 111.41 172.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.57 -43.62 98.36 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.986 0.914 . . . . 0.0 112.583 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.42 92.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.502 0.721 . . . . 0.0 112.39 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -66.51 -40.84 89.41 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.531 0.732 . . . . 0.0 112.019 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 . . . . . 0 CA--C 1.541 0.632 0 O-C-N 120.558 -1.339 . . . . 0.0 112.485 176.136 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 0 CA--C 1.539 0.727 0 CA-C-O 121.647 0.603 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.98 -34.0 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -173.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -70.0 -24.95 63.39 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.085 -1.009 . . . . 0.0 112.685 176.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -73.37 -51.05 18.77 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.52 -0.737 . . . . 0.0 111.375 175.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.8 -33.12 75.23 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 120.74 -1.225 . . . . 0.0 112.784 176.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -69.11 -30.2 68.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 173.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.05 60.88 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.33 -0.857 . . . . 0.0 111.524 168.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.15 -42.88 95.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.802 0.841 . . . . 0.0 112.653 -177.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.09 -38.52 91.37 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.581 1.082 . . . . 0.0 112.702 176.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -68.8 -39.98 79.82 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.485 -0.759 . . . . 0.0 112.839 174.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -61.75 -39.88 93.16 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.471 1.108 . . . . 0.0 112.038 174.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -68.48 -37.27 79.97 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 174.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.3 mtt -64.47 -23.74 67.38 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.199 1.0 . . . . 0.0 113.547 173.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.494 0 C-N-CA 125.319 1.438 . . . . 0.0 114.312 -171.751 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -67.34 -30.51 70.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.107 0.963 . . . . 0.0 113.168 177.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.16 -43.38 67.64 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.99 0.814 . . . . 0.0 111.013 177.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tt -75.32 -37.95 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 123.547 0.739 . . . . 0.0 111.783 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.65 -36.69 74.52 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.7 1.136 . . . . 0.0 112.1 173.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -70.01 -58.07 4.26 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.864 0.757 . . . . 0.0 112.566 174.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.66 -42.96 98.02 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.425 -0.797 . . . . 0.0 112.942 -174.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 tp -76.63 -23.67 53.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.897 0.879 . . . . 0.0 112.585 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.53 -37.82 50.1 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.243 -0.911 . . . . 0.0 112.783 165.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -65.27 -44.86 86.71 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.269 -0.894 . . . . 0.0 112.082 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.2 p -62.77 -38.63 91.33 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 172.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.82 -40.91 98.86 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.769 -1.207 . . . . 0.0 111.933 170.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.5 m -61.59 -37.09 82.59 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.2 1.0 . . . . 0.0 111.605 176.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.23 -33.6 75.69 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.271 -0.893 . . . . 0.0 113.106 174.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.92 -47.53 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 121.289 -0.882 . . . . 0.0 110.268 171.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -55.55 -47.73 75.89 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.311 1.044 . . . . 0.0 111.814 174.107 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -55.36 -49.68 71.65 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.122 1.769 . . . . 0.0 111.732 178.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.98 -36.37 62.02 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -62.43 -41.31 98.62 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.248 0.931 . . . . 0.0 111.55 172.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.38 95.06 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.559 0.744 . . . . 0.0 112.49 173.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.33 96.16 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.706 0.802 . . . . 0.0 112.637 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 124.386 1.075 . . . . 0.0 111.295 177.009 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 CA--C 1.532 0.392 0 CA-C-O 122.062 0.776 . . . . 0.0 113.769 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.21 -31.01 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 124.371 1.068 . . . . 0.0 113.478 -174.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -67.56 -34.26 76.7 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.586 0.754 . . . . 0.0 112.523 175.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -72.6 -48.4 40.07 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.34 -0.85 . . . . 0.0 111.629 -177.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.8 -32.54 73.18 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.942 -1.098 . . . . 0.0 112.667 175.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 32.4 t -62.57 -48.26 80.23 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.847 0.859 . . . . 0.0 111.178 170.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.19 88.66 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.157 -0.965 . . . . 0.0 112.413 176.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.94 -51.7 65.89 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.155 -0.926 . . . . 0.0 112.807 175.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.86 -33.99 77.1 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.454 1.479 . . . . 0.0 112.751 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -71.58 -36.93 71.05 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.778 0.831 . . . . 0.0 112.524 176.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.96 -40.3 87.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.117 1.367 . . . . 0.0 112.585 171.312 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -65.39 -18.64 65.47 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 173.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 75.5 mtm . . . . . 0 CA--C 1.546 0.806 0 C-N-CA 126.167 1.787 . . . . 0.0 113.637 172.273 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 34.8 p . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -33.64 72.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.561 0.745 . . . . 0.0 111.732 170.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -66.95 -38.95 87.08 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.367 -0.833 . . . . 0.0 112.347 174.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -63.18 -47.87 80.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.207 0.912 . . . . 0.0 112.236 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.07 -40.16 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 118.936 -0.554 . . . . 0.0 112.055 175.281 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.72 -44.76 93.61 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.212 0.915 . . . . 0.0 111.795 174.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -62.09 -53.14 59.63 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.004 0.922 . . . . 0.0 112.405 178.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.2 -42.41 84.21 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.965 -0.459 . . . . 0.0 112.015 -175.263 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.6 tp -74.4 -24.34 59.1 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.01 67.51 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.981 -1.075 . . . . 0.0 113.095 166.239 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -66.54 -45.95 77.73 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.921 -1.112 . . . . 0.0 112.394 -177.457 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 73.7 p -61.68 -42.08 98.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 171.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.65 -38.79 86.02 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.52 1.128 . . . . 0.0 112.753 175.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 90.5 m -60.86 -40.62 93.62 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.377 -0.827 . . . . 0.0 111.438 173.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -72.7 -34.18 66.96 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.276 -0.89 . . . . 0.0 112.895 177.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.07 -50.72 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.224 0.92 . . . . 0.0 109.991 171.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -61.84 -41.06 97.36 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.56 0.744 . . . . 0.0 112.785 177.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -59.5 -46.33 89.13 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.382 1.073 . . . . 0.0 112.489 174.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 -47.5 83.76 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.572 0.749 . . . . 0.0 111.915 176.473 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -64.98 -39.7 93.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.616 0.766 . . . . 0.0 112.325 -179.052 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.38 94.39 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.522 0.729 . . . . 0.0 112.291 174.204 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.73 84.83 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.543 -0.723 . . . . 0.0 112.719 177.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.15 -41.14 97.99 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.856 1.262 . . . . 0.0 112.006 177.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 . . . . . 0 CA--C 1.538 0.491 0 C-N-CA 123.561 0.744 . . . . 0.0 111.827 174.459 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo . . . . . 0 CA--C 1.538 0.692 0 CA-C-O 121.749 0.645 . . . . 0.0 113.009 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.06 -31.28 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -171.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -65.56 -30.97 71.78 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.304 -0.872 . . . . 0.0 112.693 176.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -73.07 -53.4 11.18 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.156 -0.965 . . . . 0.0 111.519 177.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.73 -31.85 73.16 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.377 -0.827 . . . . 0.0 112.475 178.111 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -62.9 -57.34 11.15 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.348 1.059 . . . . 0.0 111.677 170.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.53 73.29 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.913 -1.117 . . . . 0.0 113.147 -178.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.67 -46.8 83.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.993 0.815 . . . . 0.0 111.823 176.59 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.33 -33.71 76.33 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.329 0.968 . . . . 0.0 112.211 -179.022 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -69.21 -54.27 15.68 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.57 -0.706 . . . . 0.0 110.677 174.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.95 -42.34 93.86 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.236 1.815 . . . . 0.0 112.603 -176.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -17.04 58.24 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -176.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.2 mtt -84.85 -6.28 59.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.671 1.188 . . . . 0.0 112.814 164.155 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.693 0 C-N-CA 125.595 1.569 . . . . 0.0 114.843 -177.018 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -68.28 -38.83 82.1 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.29 -0.881 . . . . 0.0 111.642 174.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -65.82 -46.39 78.8 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.393 -0.817 . . . . 0.0 111.628 -178.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.85 -41.59 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.708 0.803 . . . . 0.0 111.505 178.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -60.95 -46.1 92.07 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.389 0.995 . . . . 0.0 111.73 173.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -64.86 -48.81 72.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.106 0.962 . . . . 0.0 112.609 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.05 -45.76 92.15 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.99 0.814 . . . . 0.0 111.82 178.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 tp -74.1 -34.99 64.14 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.366 0.666 . . . . 0.0 112.169 -175.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.15 82.67 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.724 0.809 . . . . 0.0 112.863 171.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -58.97 -45.8 89.65 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.495 1.118 . . . . 0.0 111.114 173.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 t -62.11 -48.46 80.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.184 0.994 . . . . 0.0 112.58 175.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.78 -42.55 97.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.014 0.926 . . . . 0.0 112.865 176.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.5 m -60.09 -37.73 80.84 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.46 -0.775 . . . . 0.0 111.502 178.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -70.14 -32.56 70.61 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.34 -50.79 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.368 0.985 . . . . 0.0 109.677 171.759 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.36 -41.59 97.31 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.595 1.158 . . . . 0.0 111.954 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -63.5 -42.12 98.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.987 0.915 . . . . 0.0 112.584 175.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.08 -45.72 87.43 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.695 0.798 . . . . 0.0 112.488 175.015 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.16 -42.9 99.7 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 118.933 -0.555 . . . . 0.0 111.974 176.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.87 96.48 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.369 0.668 . . . . 0.0 112.415 175.154 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.49 -45.29 87.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.368 0.667 . . . . 0.0 112.779 178.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 CA--C 1.543 0.681 0 C-N-CA 124.442 1.097 . . . . 0.0 111.549 177.743 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 CA--C 1.535 0.567 0 CA-C-O 121.886 0.702 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 8.1 tt -60.29 -30.03 45.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -174.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.21 -33.37 75.84 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.597 -0.69 . . . . 0.0 112.401 175.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -77.66 -47.2 19.82 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.602 0.761 . . . . 0.0 111.93 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.68 -32.15 73.28 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.656 -1.278 . . . . 0.0 112.445 175.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.7 t -59.94 -46.33 89.74 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.967 0.907 . . . . 0.0 112.175 166.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.69 99.49 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.086 -1.009 . . . . 0.0 111.623 176.207 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.12 -46.5 88.78 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.5 0.72 . . . . 0.0 112.462 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.95 -33.68 75.13 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.522 1.51 . . . . 0.0 112.797 177.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -69.8 -38.37 76.61 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.56 0.744 . . . . 0.0 111.872 174.114 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -64.31 -40.67 96.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.076 1.35 . . . . 0.0 112.098 171.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -65.58 -34.25 77.81 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 175.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 172.39 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.469 0.481 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -33.82 53.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.272 1.029 . . . . 0.0 111.898 164.483 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -67.39 -30.17 69.88 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.743 0.817 . . . . 0.0 112.881 176.086 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -77.14 -48.24 18.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.154 0.982 . . . . 0.0 112.011 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.78 -42.02 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.909 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -48.05 80.06 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.868 0.758 . . . . 0.0 112.36 177.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -68.06 -49.45 61.28 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.815 -0.553 . . . . 0.0 111.784 178.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 26.6 tp -66.99 -41.39 86.82 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.622 -0.674 . . . . 0.0 112.808 -173.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.7 tp -69.93 -37.26 75.84 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.869 0.868 . . . . 0.0 112.652 176.068 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.07 -39.08 86.77 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 175.18 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -62.91 -46.58 87.16 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.289 0.949 . . . . 0.0 111.655 175.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 23.1 t -58.19 -47.11 84.44 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.6 -41.9 98.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.957 0.903 . . . . 0.0 112.303 177.434 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.2 m -63.07 -36.73 84.55 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.333 -0.854 . . . . 0.0 112.111 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -64.39 -33.32 75.58 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.236 -0.915 . . . . 0.0 113.087 177.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.82 -47.68 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.157 -0.965 . . . . 0.0 110.281 173.222 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.36 -32.22 73.01 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.579 1.152 . . . . 0.0 113.005 -175.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -60.19 -46.34 90.04 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.764 0.826 . . . . 0.0 111.927 170.059 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 -39.59 72.51 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 178.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -59.32 -43.62 92.66 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.335 0.97 . . . . 0.0 111.828 172.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.59 94.35 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.474 0.71 . . . . 0.0 112.707 176.299 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.68 97.75 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.696 0.68 . . . . 0.0 112.819 175.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.61 -44.22 91.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.914 0.886 . . . . 0.0 111.092 176.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 CA--C 1.545 0.781 0 O-C-N 121.077 -1.014 . . . . 0.0 112.566 175.572 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 CA--C 1.536 0.594 0 CA-C-O 122.41 0.921 . . . . 0.0 113.633 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.3 tt -70.28 -27.14 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -164.164 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -69.55 -29.75 67.4 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.684 -0.635 . . . . 0.0 112.26 173.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -71.71 -52.06 19.73 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.016 0.927 . . . . 0.0 111.733 178.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.46 -34.38 78.16 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.542 -0.724 . . . . 0.0 112.23 177.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.2 t -62.31 -42.82 99.68 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.401 1.08 . . . . 0.0 112.524 169.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.38 95.18 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.001 -1.062 . . . . 0.0 111.873 174.378 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.61 -45.48 92.7 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 112.637 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.47 -35.05 78.42 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.141 1.337 . . . . 0.0 112.603 178.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -64.99 -46.37 81.73 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.653 0.781 . . . . 0.0 111.614 172.188 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -64.73 -33.1 75.17 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.225 1.01 . . . . 0.0 112.644 178.166 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -60.74 -37.76 82.84 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.195 0.907 . . . . 0.0 112.962 171.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.6 mtm -87.46 4.26 44.01 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.99 1.316 . . . . 0.0 114.176 173.012 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.413 0 C-N-CA 124.6 1.095 . . . . 0.0 115.527 179.124 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.818 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.55 -32.84 74.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.628 0.771 . . . . 0.0 112.994 176.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -73.85 -46.18 46.57 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.595 0.758 . . . . 0.0 111.617 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 tt -65.7 -40.97 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.89 176.245 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -59.34 -45.48 91.27 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.773 1.169 . . . . 0.0 111.806 175.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -64.91 -51.59 61.06 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.68 -42.34 95.41 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.935 0.788 . . . . 0.0 112.897 -178.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 tp -77.15 -24.29 51.57 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.052 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.81 -38.34 62.11 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.331 -0.855 . . . . 0.0 113.033 164.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -57.98 -53.32 59.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.97 1.308 . . . . 0.0 112.381 178.221 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.9 p -64.01 -39.08 93.3 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.134 0.573 . . . . 0.0 112.177 177.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.94 -40.3 95.07 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.137 0.975 . . . . 0.0 112.32 174.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.1 m -61.52 -41.94 98.07 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.265 -0.897 . . . . 0.0 111.62 175.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.45 -34.18 76.67 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.44 -0.787 . . . . 0.0 113.047 177.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.8 mt -58.44 -49.9 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 119.228 0.922 . . . . 0.0 109.554 169.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -60.43 -38.14 83.15 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.844 -179.265 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -62.59 -53.43 54.74 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.451 1.023 . . . . 0.0 112.009 173.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.47 -34.99 63.28 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -171.192 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -60.9 -46.86 88.95 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.119 0.872 . . . . 0.0 111.542 171.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.77 97.93 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.228 0.611 . . . . 0.0 111.975 177.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.69 86.24 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.821 0.737 . . . . 0.0 112.435 178.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 . . . . . 0 CA--C 1.546 0.807 0 C-N-CA 124.363 1.065 . . . . 0.0 111.669 178.341 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 CA--C 1.537 0.632 0 CA-C-O 121.904 0.71 . . . . 0.0 113.148 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.3 tt -63.86 -30.0 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -173.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -63.81 -35.25 80.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.232 0.613 . . . . 0.0 112.148 175.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -71.68 -52.15 19.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.201 1.001 . . . . 0.0 111.612 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.04 -32.0 73.22 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.822 0.737 . . . . 0.0 112.365 178.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t -65.99 -37.8 86.87 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.281 1.033 . . . . 0.0 112.713 173.102 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.43 72.02 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.589 -0.694 . . . . 0.0 112.088 171.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.02 -41.68 97.35 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.351 1.06 . . . . 0.0 113.139 -178.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.82 -34.78 78.95 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.742 1.61 . . . . 0.0 112.145 178.055 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.4 -40.39 73.91 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.142 0.977 . . . . 0.0 111.426 175.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -64.78 -41.43 95.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.3 1.44 . . . . 0.0 112.438 175.05 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -65.57 -30.82 71.61 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.379 -0.826 . . . . 0.0 112.54 173.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 69.3 mtm . . . . . 0 CA--C 1.547 0.837 0 C-N-CA 124.949 1.3 . . . . 0.0 113.88 169.822 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 111.547 0.203 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.4 mmt -57.69 -29.61 64.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.261 0.624 . . . . 0.0 112.533 168.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.64 -39.58 88.32 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.4 -0.812 . . . . 0.0 112.204 172.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -63.82 -50.56 68.44 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.397 0.544 . . . . 0.0 111.595 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 tt -66.08 -41.42 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.362 0.665 . . . . 0.0 112.114 -178.33 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -62.76 -38.59 91.16 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.164 0.893 . . . . 0.0 112.308 175.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -69.04 -56.55 7.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.458 0.703 . . . . 0.0 112.279 176.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.6 -44.4 90.73 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.618 0.767 . . . . 0.0 112.232 -174.47 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.57 -34.38 72.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.017 0.527 . . . . 0.0 112.017 -177.299 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.74 73.59 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 170.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -61.25 -47.58 85.39 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.211 -0.93 . . . . 0.0 111.555 176.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 69.0 m -61.17 -42.48 98.64 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.57 -38.7 88.48 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.527 -0.733 . . . . 0.0 112.726 176.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 94.9 m -63.08 -39.22 94.08 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.211 -0.931 . . . . 0.0 112.052 175.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -67.55 -34.49 77.19 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.997 -1.064 . . . . 0.0 113.153 178.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.25 -50.58 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.688 -0.632 . . . . 0.0 109.865 172.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.14 -38.25 90.02 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.89 0.876 . . . . 0.0 112.344 -179.105 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 45.5 ttm180 -58.25 -47.66 82.86 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.746 1.218 . . . . 0.0 112.149 175.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.83 -42.94 80.68 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.326 0.651 . . . . 0.0 112.216 177.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -65.52 -38.64 90.28 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.61 97.18 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.232 0.613 . . . . 0.0 111.987 174.642 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.51 87.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.377 0.671 . . . . 0.0 112.132 176.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -63.82 -43.27 96.73 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.96 0.904 . . . . 0.0 111.676 178.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 . . . . . 0 CA--C 1.537 0.453 0 O-C-N 120.562 -1.336 . . . . 0.0 112.496 175.116 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 CA--C 1.534 0.488 0 CA-C-O 121.935 0.723 . . . . 0.0 113.454 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.12 -31.55 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.005 0.922 . . . . 0.0 113.483 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.56 -33.8 76.77 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.824 0.85 . . . . 0.0 112.222 175.031 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -75.2 -51.78 12.54 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.874 0.87 . . . . 0.0 111.541 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.06 -31.1 72.15 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.289 -0.882 . . . . 0.0 112.789 178.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.1 t -68.53 -34.29 75.61 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.91 0.884 . . . . 0.0 112.974 171.645 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.17 -32.87 65.11 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.536 -1.352 . . . . 0.0 113.004 170.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.67 -45.3 87.27 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.988 -1.07 . . . . 0.0 111.837 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.37 -35.54 81.26 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.052 1.296 . . . . 0.0 112.587 177.275 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -65.06 -45.23 86.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.782 0.833 . . . . 0.0 111.346 173.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -66.08 -32.44 73.9 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.632 0.773 . . . . 0.0 112.851 176.322 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -68.07 -31.04 70.39 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.738 -1.226 . . . . 0.0 113.339 170.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.8 mtt -80.24 -9.29 59.72 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.004 1.321 . . . . 0.0 113.594 171.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.545 0 C-N-CA 125.062 1.315 . . . . 0.0 114.972 -178.146 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.43 -33.23 75.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.273 0.629 . . . . 0.0 112.554 176.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -74.06 -48.58 28.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.848 0.859 . . . . 0.0 111.584 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 tt -63.71 -39.76 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 121.722 -0.611 . . . . 0.0 112.03 176.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -58.61 -35.86 73.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.241 0.928 . . . . 0.0 112.181 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.59 -55.17 6.2 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.542 0.737 . . . . 0.0 112.14 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.6 -45.49 92.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.248 0.619 . . . . 0.0 112.404 -174.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.5 tp -72.01 -34.68 69.06 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.229 0.612 . . . . 0.0 111.904 -176.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.46 75.81 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 172.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -64.87 -42.94 94.43 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.214 -0.929 . . . . 0.0 111.979 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.7 t -60.33 -44.45 95.48 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.433 0.693 . . . . 0.0 112.214 172.092 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.65 -39.34 91.0 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.144 0.978 . . . . 0.0 112.74 174.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.6 m -61.54 -39.31 90.63 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.715 -1.241 . . . . 0.0 111.954 175.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -68.76 -27.95 66.36 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.791 0.836 . . . . 0.0 112.932 177.568 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.08 -55.1 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 120.579 -1.326 . . . . 0.0 109.94 168.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -62.19 -36.86 83.2 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.086 0.954 . . . . 0.0 112.448 -175.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -56.11 -51.67 67.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.607 1.563 . . . . 0.0 112.212 172.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.87 -36.59 72.86 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.485 0.714 . . . . 0.0 112.47 -178.531 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.95 -43.46 95.77 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.642 0.655 . . . . 0.0 112.654 173.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.53 98.99 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.517 0.599 . . . . 0.0 111.738 175.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.21 85.49 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 175.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 . . . . . 0 CA--C 1.548 0.902 0 C-N-CA 124.744 1.218 . . . . 0.0 111.463 177.436 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.236 0.378 0 CA-C-O 121.818 0.674 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 10.1 tp -57.71 -30.85 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.216 1.007 . . . . 0.0 113.331 -176.319 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -61.26 -32.11 71.93 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.751 1.22 . . . . 0.0 113.16 176.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -78.89 -54.91 5.57 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.241 1.016 . . . . 0.0 111.956 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.09 -30.06 71.15 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.112 -0.992 . . . . 0.0 112.541 179.038 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 23.2 t -70.98 -32.6 69.48 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 171.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.87 -36.49 75.54 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.886 1.221 . . . . 0.0 112.756 170.604 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.58 -44.56 93.3 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.854 0.862 . . . . 0.0 112.021 -179.262 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.15 -29.05 67.0 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.633 1.106 . . . . 0.0 113.368 178.121 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -67.66 -50.89 55.54 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.844 0.858 . . . . 0.0 110.858 175.234 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -72.98 -21.8 60.79 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -60.48 -35.97 77.18 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.898 -1.126 . . . . 0.0 112.174 165.012 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 67.7 mtm . . . . . 0 CA--C 1.546 0.81 0 C-N-CA 125.499 1.52 . . . . 0.0 113.457 171.099 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 54.8 p . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 121.502 0.668 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -28.54 67.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.61 0.764 . . . . 0.0 112.971 175.517 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -74.36 -29.12 61.43 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.653 1.181 . . . . 0.0 112.779 176.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -75.97 -44.06 41.63 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.101 -0.999 . . . . 0.0 112.31 179.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.81 -38.94 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.848 0.859 . . . . 0.0 112.211 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -56.06 -44.64 79.1 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.928 0.785 . . . . 0.0 111.509 177.423 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -66.76 -51.88 50.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.759 0.824 . . . . 0.0 111.6 -179.18 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.29 -45.83 89.57 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.847 0.859 . . . . 0.0 112.383 -177.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.3 tp -73.13 -34.41 66.09 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.257 0.623 . . . . 0.0 111.716 -174.62 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.01 77.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.645 0.778 . . . . 0.0 112.762 170.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -62.16 -43.09 99.61 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.25 -0.907 . . . . 0.0 111.847 175.035 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 26.7 t -63.3 -45.52 91.01 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.618 0.767 . . . . 0.0 112.073 175.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.63 -40.76 93.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.734 1.213 . . . . 0.0 112.862 175.139 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 80.4 m -60.39 -39.23 86.55 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.566 0.746 . . . . 0.0 112.328 179.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.75 -31.52 72.21 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.424 -0.798 . . . . 0.0 112.807 177.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.5 -51.84 68.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 O-C-N 120.971 -1.081 . . . . 0.0 110.027 173.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.26 -41.33 96.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.487 1.115 . . . . 0.0 112.08 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -59.04 -48.66 80.79 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.283 1.433 . . . . 0.0 112.313 176.271 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.6 -34.25 69.7 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 179.42 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.39 -41.56 98.76 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.033 0.833 . . . . 0.0 112.481 171.26 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.36 99.26 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.38 0.672 . . . . 0.0 112.109 175.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.89 95.63 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.551 0.741 . . . . 0.0 112.284 174.38 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.05 -42.76 99.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.512 1.125 . . . . 0.0 111.477 177.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 . . . . . 0 CA--C 1.543 0.707 0 O-C-N 121.158 -0.964 . . . . 0.0 112.549 175.592 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 CA--C 1.537 0.663 0 CA-C-O 121.801 0.667 . . . . 0.0 113.472 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 tp -59.79 -31.71 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.73 0.812 . . . . 0.0 112.886 178.42 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -64.66 -39.03 92.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.037 0.935 . . . . 0.0 112.796 175.625 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -70.57 -49.63 45.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.545 0.738 . . . . 0.0 111.659 -176.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.08 -32.36 73.77 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.313 -0.867 . . . . 0.0 112.507 176.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.5 m -67.87 -38.87 83.63 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.393 0.677 . . . . 0.0 112.458 172.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.24 79.63 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.888 -1.133 . . . . 0.0 112.393 172.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.17 -50.46 65.86 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.753 1.221 . . . . 0.0 112.103 175.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.85 -34.92 79.26 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.533 1.061 . . . . 0.0 112.893 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -68.21 -45.07 74.35 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.651 -0.656 . . . . 0.0 112.009 177.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.76 -29.74 64.83 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.023 0.828 . . . . 0.0 112.914 177.232 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.77 -33.19 75.29 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.904 -1.123 . . . . 0.0 112.432 169.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.7 mtm -82.21 9.66 8.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.573 1.149 . . . . 0.0 113.959 170.07 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.321 0 C-N-CA 124.748 1.166 . . . . 0.0 115.875 171.956 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.89 -31.09 72.16 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.044 0.938 . . . . 0.0 113.443 172.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -79.97 -47.91 14.22 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.223 1.009 . . . . 0.0 112.335 -178.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.09 -37.35 78.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.004 174.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.52 -46.01 84.33 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.563 1.074 . . . . 0.0 111.548 174.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -66.68 -54.65 20.89 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.627 0.649 . . . . 0.0 112.076 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.56 -44.09 97.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.89 0.876 . . . . 0.0 111.898 -174.261 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.1 tp -76.29 -25.88 55.33 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -176.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -36.15 59.11 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.301 -0.874 . . . . 0.0 112.766 169.423 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -61.98 -51.32 68.54 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.359 1.064 . . . . 0.0 111.734 -179.331 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -62.96 -37.0 85.34 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.588 0.755 . . . . 0.0 112.888 175.519 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' B' ' 118' ' ' LEU . 1.9 tm? -60.93 -42.6 98.46 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.087 -1.008 . . . . 0.0 112.265 172.392 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -59.42 -38.68 81.24 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.463 -0.773 . . . . 0.0 112.013 178.378 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.91 -34.44 77.78 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.946 -1.096 . . . . 0.0 113.053 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.87 -46.51 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.313 -0.867 . . . . 0.0 110.015 172.711 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.06 -39.51 94.23 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.502 1.121 . . . . 0.0 112.062 179.267 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -62.92 -46.55 87.25 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.157 0.89 . . . . 0.0 112.515 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.43 -38.04 83.93 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.338 0.517 . . . . 0.0 112.068 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -64.71 -40.16 94.88 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 173.009 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.14 97.45 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.296 0.639 . . . . 0.0 112.174 174.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.49 94.93 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.615 0.766 . . . . 0.0 112.218 175.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.543 0.675 0 C-N-CA 123.954 0.902 . . . . 0.0 111.257 174.77 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo . . . . . 0 CA--C 1.535 0.562 0 CA-C-O 122.269 0.862 . . . . 0.0 114.155 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.7 tt -64.16 -32.33 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -168.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -65.66 -35.24 80.22 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.064 -1.023 . . . . 0.0 112.018 172.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -76.14 -42.69 45.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.035 0.934 . . . . 0.0 112.581 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.76 -30.9 70.47 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 121.038 1.744 . . . . 0.0 111.978 176.007 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 44.7 t -66.35 -41.48 89.49 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.484 0.713 . . . . 0.0 112.087 168.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.04 89.09 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.942 -1.099 . . . . 0.0 112.291 173.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.82 -46.29 75.62 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.832 1.253 . . . . 0.0 112.624 179.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 45' ' ' LEU . 1.9 pp -65.31 -34.37 78.18 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.869 1.213 . . . . 0.0 111.231 177.531 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -67.4 -39.05 85.54 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.781 0.832 . . . . 0.0 112.545 171.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -64.97 -34.96 79.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.82 1.248 . . . . 0.0 112.3 176.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -61.8 -26.34 68.04 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.223 -0.923 . . . . 0.0 113.344 170.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 38.5 mtt . . . . . 0 CA--C 1.547 0.861 0 C-N-CA 126.055 1.742 . . . . 0.0 113.412 175.855 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -38.4 70.68 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.797 1.239 . . . . 0.0 112.57 177.077 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.28 -20.59 65.66 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.199 1.0 . . . . 0.0 113.518 176.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -78.65 -56.28 4.54 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.104 0.961 . . . . 0.0 110.189 174.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 6.7 tt -63.41 -37.03 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.253 1.021 . . . . 0.0 112.215 -178.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.09 -29.92 68.9 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.956 1.253 . . . . 0.0 112.912 175.405 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -79.32 -53.88 6.5 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.862 0.756 . . . . 0.0 111.769 173.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.33 -46.13 91.0 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.823 0.849 . . . . 0.0 112.864 -176.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 20.9 tp -75.82 -22.33 56.41 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.446 1.098 . . . . 0.0 113.236 -176.642 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.28 -33.44 49.5 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.048 -1.033 . . . . 0.0 112.663 167.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -65.49 -42.59 91.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.101 0.96 . . . . 0.0 112.599 -178.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 72.1 p -64.13 -42.52 96.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.221 0.608 . . . . 0.0 111.941 172.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.78 -40.46 88.33 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.851 1.26 . . . . 0.0 112.247 174.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 53.4 m -60.03 -41.83 93.07 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.234 -0.916 . . . . 0.0 112.144 173.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.92 -32.24 70.43 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 176.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.11 -53.22 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 120.745 -1.222 . . . . 0.0 110.024 169.582 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.64 -40.5 95.1 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.85 0.86 . . . . 0.0 112.251 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -60.54 -44.95 95.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.952 1.301 . . . . 0.0 112.892 175.056 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.43 -35.07 65.74 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.688 0.676 . . . . 0.0 112.512 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -60.64 -44.79 95.98 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.731 0.696 . . . . 0.0 111.694 170.242 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.43 98.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.341 0.657 . . . . 0.0 112.191 176.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.38 95.55 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.738 0.815 . . . . 0.0 112.786 177.663 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -63.14 -38.69 92.16 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.528 1.131 . . . . 0.0 112.345 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 123.516 0.726 . . . . 0.0 112.523 175.54 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 112.044 -0.422 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -68.88 165.57 29.42 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.768 2.978 . . . . 0.0 112.66 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.74 158.12 44.5 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.129 0.871 . . . . 0.0 114.226 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.9 p -72.86 -16.36 61.59 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -142.26 153.32 43.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.54 1.536 . . . . 0.0 111.72 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -83.48 32.27 0.46 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.638 1.575 . . . . 0.0 112.964 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.29 107.79 3.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.864 1.666 . . . . 0.0 112.622 -168.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.19 33.1 17.28 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 126.796 2.038 . . . . 0.0 115.087 170.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.0 151.81 85.18 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 124.905 1.282 . . . . 0.0 112.862 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -70.23 163.34 38.98 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.048 2.499 . . . . 0.0 113.65 -172.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.4 tp -59.65 -31.31 46.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.373 1.069 . . . . 0.0 113.793 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.21 -37.29 86.83 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.348 -0.845 . . . . 0.0 112.473 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -72.69 -49.88 28.54 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.367 0.667 . . . . 0.0 112.098 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -67.81 -31.97 72.19 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.124 0.875 . . . . 0.0 112.302 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.9 t -62.5 -49.59 74.75 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.693 0.797 . . . . 0.0 111.812 168.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.18 90.11 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.323 -0.861 . . . . 0.0 111.74 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.53 -51.34 65.89 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.002 -0.999 . . . . 0.0 112.475 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.96 -33.85 76.75 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.689 1.586 . . . . 0.0 112.545 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -71.2 -35.3 71.5 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.465 0.706 . . . . 0.0 112.731 175.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.3 -38.18 81.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.105 1.362 . . . . 0.0 112.187 171.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -62.65 -27.38 69.18 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.218 -0.926 . . . . 0.0 113.171 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 66.8 mtm -96.06 3.22 53.54 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.349 1.46 . . . . 0.0 114.083 172.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.64 43.63 97.63 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.354 1.454 . . . . 0.0 115.143 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -60.9 158.42 13.22 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -176.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -90.8 45.86 1.29 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.555 1.542 . . . . 0.0 112.217 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.9 51.08 42.61 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 124.769 1.176 . . . . 0.0 113.833 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.62 -160.68 23.72 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.861 1.696 . . . . 0.0 115.101 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.77 162.51 25.23 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.754 1.169 . . . . 0.0 113.623 -175.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 p -156.52 170.63 21.92 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.104 1.362 . . . . 0.0 112.648 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.38 13.66 44.77 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 124.927 1.251 . . . . 0.0 115.235 172.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.87 -53.89 41.47 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 118.658 1.229 . . . . 0.0 114.681 -169.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.9 59.59 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.797 1.189 . . . . 0.0 115.801 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.0 p -71.16 169.27 15.44 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.541 1.537 . . . . 0.0 112.052 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -35.01 70.93 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.344 -0.847 . . . . 0.0 111.803 170.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -67.39 -38.59 84.94 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.077 -1.015 . . . . 0.0 112.175 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -61.81 -50.52 71.98 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.212 1.005 . . . . 0.0 111.924 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.01 -43.27 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 112.16 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -59.2 -44.31 92.23 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.706 1.139 . . . . 0.0 112.123 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -64.71 -48.64 73.93 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.637 0.653 . . . . 0.0 112.387 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.51 -47.48 85.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.757 0.708 . . . . 0.0 112.258 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -78.02 -23.58 48.17 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -173.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.7 -39.67 66.83 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.371 -0.831 . . . . 0.0 112.216 165.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -62.91 -46.75 86.32 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.919 0.887 . . . . 0.0 112.147 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.2 p -62.9 -41.59 99.49 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.19 -41.46 99.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.228 1.011 . . . . 0.0 112.49 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.3 m -60.94 -41.08 95.54 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.3 -0.875 . . . . 0.0 111.815 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -67.28 -34.86 78.29 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.032 -1.042 . . . . 0.0 113.064 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.9 mt -57.42 -52.1 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.524 -0.735 . . . . 0.0 109.931 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.28 -37.88 89.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.826 0.85 . . . . 0.0 112.562 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -58.86 -48.31 81.8 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.727 1.211 . . . . 0.0 111.985 175.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.63 -41.42 83.95 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.411 0.684 . . . . 0.0 112.35 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.57 -41.42 96.3 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.866 0.757 . . . . 0.0 112.788 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.77 91.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.439 0.696 . . . . 0.0 112.3 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.29 84.99 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.336 0.654 . . . . 0.0 112.178 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -57.04 -50.81 71.6 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.486 1.514 . . . . 0.0 111.531 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -62.84 -37.88 88.59 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.666 0.786 . . . . 0.0 112.665 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.07 -49.95 39.11 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.45 -28.27 65.96 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.3 -33.32 73.39 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.439 0.904 . . . . 0.0 113.439 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -92.32 -31.02 15.53 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.15 -40.14 74.94 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.179 0.9 . . . . 0.0 113.313 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -77.96 -6.39 54.26 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -74.89 -16.5 60.67 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.946 1.698 . . . . 0.0 115.263 -173.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.798 1.639 . . . . 0.0 114.032 179.407 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -67.64 148.39 77.94 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.869 3.046 . . . . 0.0 112.717 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.58 -1.67 87.49 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.603 1.097 . . . . 0.0 115.435 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 82.9 p -154.67 167.11 31.24 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.617 1.567 . . . . 0.0 112.563 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 55.43 66.84 1.12 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.834 2.054 . . . . 0.0 114.185 176.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.68 135.01 56.4 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.044 0.937 . . . . 0.0 111.688 171.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -155.94 156.22 34.17 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.423 1.489 . . . . 0.0 110.739 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.4 20.79 4.98 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.523 1.929 . . . . 0.0 115.188 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.08 153.38 94.69 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 124.62 1.168 . . . . 0.0 112.116 172.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -62.1 155.54 55.38 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.37 2.713 . . . . 0.0 112.885 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.31 -30.36 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -63.72 -36.86 85.26 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.409 0.684 . . . . 0.0 112.016 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -71.37 -51.52 23.71 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.261 -0.899 . . . . 0.0 111.793 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.48 -32.15 73.67 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.712 -0.617 . . . . 0.0 112.492 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 55.2 m -70.11 -41.05 74.49 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.786 0.834 . . . . 0.0 112.801 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.58 -34.51 78.41 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.082 -1.011 . . . . 0.0 112.272 172.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.17 -49.25 68.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.103 0.961 . . . . 0.0 111.937 175.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.53 -32.91 74.56 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.631 1.56 . . . . 0.0 112.943 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -68.15 -44.33 76.25 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.798 0.726 . . . . 0.0 112.56 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.42 -25.44 59.44 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -61.84 -38.83 89.68 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 120.993 -1.067 . . . . 0.0 112.413 165.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 75.1 mtm -81.34 8.62 8.74 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.822 1.249 . . . . 0.0 113.915 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 90.91 8.34 65.18 Favored Glycine 0 CA--C 1.536 1.387 0 N-CA-C 116.928 1.531 . . . . 0.0 116.928 169.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -68.94 155.89 39.51 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.656 1.728 . . . . 0.0 112.183 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -77.31 64.64 2.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.801 1.241 . . . . 0.0 111.614 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 83.15 -139.65 19.27 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.304 1.43 . . . . 0.0 112.792 -174.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -168.58 -155.05 9.29 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.661 1.124 . . . . 0.0 113.283 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -162.84 -138.1 2.33 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.817 1.199 . . . . 0.0 112.78 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 43.8 t -58.76 134.65 57.03 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.899 0.88 . . . . 0.0 112.363 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -78.38 -7.82 87.76 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.429 1.014 . . . . 0.0 115.016 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.34 -154.66 53.23 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 118.349 1.075 . . . . 0.0 113.525 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 176.01 -10.64 0.03 OUTLIER Glycine 0 CA--C 1.538 1.472 0 N-CA-C 116.401 1.32 . . . . 0.0 116.401 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.7 m -73.31 159.95 32.6 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.097 1.448 . . . . 0.0 111.813 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -36.42 69.98 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.458 -0.776 . . . . 0.0 112.674 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -65.66 -31.64 72.77 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.07 0.948 . . . . 0.0 113.016 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -70.34 -49.55 48.18 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.276 -0.89 . . . . 0.0 111.008 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 10.2 tt -67.84 -40.41 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.61 0.764 . . . . 0.0 112.23 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -60.34 -27.68 67.56 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.936 1.243 . . . . 0.0 112.965 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -78.88 -63.19 1.47 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.958 0.799 . . . . 0.0 112.053 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.2 -39.44 86.33 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.588 0.631 . . . . 0.0 112.621 -169.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.2 -23.14 61.21 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.86 -40.45 24.78 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.165 0.986 . . . . 0.0 112.656 170.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -62.73 -47.99 81.17 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.983 0.913 . . . . 0.0 111.703 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 61.6 p -60.81 -39.02 87.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.51 -41.33 98.76 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.754 -1.216 . . . . 0.0 112.748 171.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.1 m -60.69 -40.09 90.91 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.317 -0.865 . . . . 0.0 111.555 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -66.7 -32.6 74.02 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.268 -0.895 . . . . 0.0 112.768 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.57 -53.66 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.697 1.135 . . . . 0.0 110.148 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.69 -39.79 89.79 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.755 0.822 . . . . 0.0 112.513 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -56.61 -52.42 64.92 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.821 1.648 . . . . 0.0 112.009 173.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.83 -32.12 63.55 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -61.33 -45.87 92.6 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.183 0.902 . . . . 0.0 112.124 168.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.0 97.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.097 0.559 . . . . 0.0 112.183 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.56 83.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.453 0.701 . . . . 0.0 112.692 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -61.26 -44.87 96.54 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.77 1.228 . . . . 0.0 111.533 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -60.72 -45.16 95.3 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.639 0.776 . . . . 0.0 112.324 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.29 93.73 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.062 0.945 . . . . 0.0 113.487 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.5 pp -77.85 -29.94 50.73 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.07 -46.66 83.33 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.185 -0.947 . . . . 0.0 111.913 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -73.14 -19.63 61.09 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -77.48 -34.43 54.27 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.85 0.86 . . . . 0.0 112.802 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -109.29 10.57 25.62 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -171.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -8.64 57.73 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.989 1.316 . . . . 0.0 114.483 166.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 126.995 2.118 . . . . 0.0 113.172 -178.397 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.139 0 CA-C-O 118.536 -1.146 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -69.26 159.27 54.45 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.804 3.003 . . . . 0.0 112.722 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.14 165.65 53.98 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.034 0.826 . . . . 0.0 113.905 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 m -71.43 -20.64 62.08 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -84.97 146.11 27.38 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.901 1.68 . . . . 0.0 112.766 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -138.14 154.44 49.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.416 1.886 . . . . 0.0 111.944 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.26 152.63 27.97 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.021 1.328 . . . . 0.0 112.258 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.53 12.73 1.61 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.89 2.476 . . . . 0.0 117.035 172.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 156.09 88.78 Favored Pre-proline 0 CA--C 1.554 1.132 0 C-N-CA 124.898 1.279 . . . . 0.0 112.069 171.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.68 157.43 61.0 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.455 2.77 . . . . 0.0 113.769 -174.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.0 tt -65.38 -29.5 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -167.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -71.72 -17.56 62.2 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -80.35 -61.03 2.1 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.389 0.995 . . . . 0.0 111.005 169.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.34 -36.64 80.75 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -71.05 -31.74 68.26 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.731 0.812 . . . . 0.0 112.524 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.87 -36.84 62.28 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.281 0.946 . . . . 0.0 111.886 171.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.23 -44.58 87.76 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.394 1.077 . . . . 0.0 112.174 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.52 -34.38 78.13 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.419 1.463 . . . . 0.0 112.337 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -64.2 -45.64 87.4 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.794 0.838 . . . . 0.0 111.124 172.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -64.94 -40.64 95.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.65 1.58 . . . . 0.0 112.992 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -65.23 -33.2 75.42 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.368 -0.832 . . . . 0.0 112.653 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.0 mtm -81.86 5.71 18.0 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.803 1.241 . . . . 0.0 113.815 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.6 2.56 84.65 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.655 1.598 . . . . 0.0 116.725 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -82.55 118.71 23.47 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.244 1.522 . . . . 0.0 110.731 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -77.82 -5.4 50.71 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.84 165.79 54.75 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 124.487 1.042 . . . . 0.0 113.441 169.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.99 -166.23 31.15 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 121.412 -1.052 . . . . 0.0 114.597 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.13 144.64 7.13 Favored Glycine 0 CA--C 1.541 1.706 0 C-N-CA 125.804 1.668 . . . . 0.0 113.638 -175.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 t -159.63 163.96 34.51 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.364 1.466 . . . . 0.0 112.053 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.03 11.86 0.2 Allowed Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.06 1.314 . . . . 0.0 115.007 174.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.2 178.78 20.27 Favored Glycine 0 CA--C 1.543 1.811 0 C-N-CA 124.795 1.188 . . . . 0.0 114.247 -171.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -167.08 131.32 2.32 Favored Glycine 0 CA--C 1.533 1.171 0 O-C-N 119.407 -2.231 . . . . 0.0 112.299 -3.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.3 t -163.07 155.33 18.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.519 1.927 . . . . 0.0 110.313 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.0 mmt -61.06 -27.67 68.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.505 0.722 . . . . 0.0 112.566 171.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -70.93 -42.31 70.04 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.274 -0.891 . . . . 0.0 112.321 170.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -64.7 -47.49 78.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.751 1.221 . . . . 0.0 112.603 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 tt -61.2 -41.72 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.539 0.736 . . . . 0.0 112.093 175.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -62.65 -47.91 81.63 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.342 0.974 . . . . 0.0 111.174 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -64.36 -36.93 85.75 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.429 0.691 . . . . 0.0 112.436 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.3 mt -66.5 -52.0 50.65 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.626 0.648 . . . . 0.0 111.692 172.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.56 -23.78 58.82 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.085 0.954 . . . . 0.0 113.471 -170.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.34 89.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.619 0.768 . . . . 0.0 112.996 171.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -68.17 -44.86 75.0 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.582 0.753 . . . . 0.0 112.137 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.9 p -64.27 -40.43 95.97 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.5 -44.23 97.45 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.699 -1.25 . . . . 0.0 111.778 172.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.1 m -59.81 -39.6 85.55 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 121.548 -0.72 . . . . 0.0 111.726 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.91 -35.76 79.03 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.518 -0.739 . . . . 0.0 112.886 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.4 -49.33 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.631 1.105 . . . . 0.0 109.829 172.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -58.83 -43.95 90.81 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.203 0.601 . . . . 0.0 111.818 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.74 -48.5 78.93 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.65 1.18 . . . . 0.0 111.861 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.43 -45.52 83.53 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.492 0.717 . . . . 0.0 112.535 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -62.07 -44.0 97.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.666 0.666 . . . . 0.0 111.859 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.26 95.94 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.172 0.589 . . . . 0.0 112.127 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -48.44 76.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.859 0.863 . . . . 0.0 112.035 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -57.63 -45.56 85.27 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.747 1.219 . . . . 0.0 111.597 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -61.8 -50.68 71.34 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.58 0.752 . . . . 0.0 112.122 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.88 99.21 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.2 -27.04 60.62 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -70.78 -47.12 61.25 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.811 1.244 . . . . 0.0 112.679 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -65.62 -26.99 68.07 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.48 -19.52 59.36 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -111.61 -7.88 14.25 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -170.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -91.03 10.08 28.14 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.473 1.909 . . . . 0.0 114.786 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 . . . . . 0 C--O 1.251 1.183 0 C-N-CA 126.829 2.052 . . . . 0.0 112.334 -179.861 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.3 152.19 79.61 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.885 3.057 . . . . 0.0 112.912 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.52 -12.05 83.41 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.295 0.95 . . . . 0.0 115.23 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 33.5 t -74.4 132.97 42.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.691 1.196 . . . . 0.0 112.406 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -88.58 149.53 23.53 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.829 1.252 . . . . 0.0 111.653 173.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -68.76 140.06 55.33 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.462 0.705 . . . . 0.0 111.923 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -152.35 156.65 40.0 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.605 1.562 . . . . 0.0 111.467 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.78 14.17 1.71 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.722 2.409 . . . . 0.0 116.394 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.01 155.87 70.49 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.934 1.294 . . . . 0.0 111.064 161.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.16 157.8 38.0 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.608 2.872 . . . . 0.0 113.052 -174.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.7 tt -57.66 -34.01 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -172.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -60.19 -30.34 69.29 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.787 0.835 . . . . 0.0 112.608 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -79.92 -58.52 3.13 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.822 0.849 . . . . 0.0 111.053 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.34 -27.21 69.16 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.67 -1.269 . . . . 0.0 113.855 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 37.8 m -73.84 -33.84 64.29 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.552 0.741 . . . . 0.0 112.182 174.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.19 -39.49 63.14 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.61 -0.681 . . . . 0.0 112.367 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.83 -39.88 90.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.622 0.769 . . . . 0.0 112.347 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.52 -37.85 87.96 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.16 1.345 . . . . 0.0 112.323 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -67.88 -40.03 83.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.444 1.097 . . . . 0.0 111.385 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -64.65 -42.28 95.54 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.61 1.564 . . . . 0.0 112.271 173.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -66.69 -31.08 71.52 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.156 0.889 . . . . 0.0 113.047 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 36.9 mtt -79.18 -8.71 59.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 172.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.34 27.08 70.52 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.395 0.997 . . . . 0.0 113.628 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -67.62 164.63 18.74 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.277 1.431 . . . . 0.0 111.983 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -64.26 -20.36 66.01 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -170.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 179.16 166.44 35.05 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.756 1.169 . . . . 0.0 112.842 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.78 168.49 54.26 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.544 1.069 . . . . 0.0 114.087 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 179.55 148.79 8.02 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.059 1.314 . . . . 0.0 112.114 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 88.3 p -77.3 154.78 32.55 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.377 1.471 . . . . 0.0 113.71 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -72.52 133.86 20.11 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 123.963 0.792 . . . . 0.0 112.318 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -79.23 -15.61 79.92 Favored Glycine 0 CA--C 1.54 1.61 0 N-CA-C 116.146 1.218 . . . . 0.0 116.146 -174.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.9 -14.64 12.83 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.455 1.503 . . . . 0.0 116.555 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 69.4 m -71.48 153.11 42.46 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.717 1.759 . . . . 0.0 110.693 168.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -41.32 79.03 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.71 -34.75 79.06 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.22 -0.925 . . . . 0.0 112.696 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -70.68 -46.38 63.28 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.993 0.917 . . . . 0.0 111.462 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.2 tt -64.48 -42.09 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 118.603 -0.713 . . . . 0.0 111.57 175.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -55.75 -56.76 16.69 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.403 1.001 . . . . 0.0 111.672 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -69.62 -38.79 77.36 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.726 -0.609 . . . . 0.0 112.424 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 43.2 tp -70.76 -39.76 73.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.522 1.056 . . . . 0.0 112.816 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 28.7 tp -73.48 -34.92 65.57 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.509 0.724 . . . . 0.0 111.991 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.84 -32.2 73.32 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 171.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -59.26 -43.84 92.43 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.838 1.255 . . . . 0.0 111.936 176.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 56.7 m -66.4 -43.11 86.71 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 172.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.08 -38.23 85.51 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.445 -0.784 . . . . 0.0 111.947 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 89.9 m -60.82 -44.7 96.57 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.03 -1.044 . . . . 0.0 111.667 173.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -68.01 -34.09 75.84 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.549 0.74 . . . . 0.0 112.68 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.1 -51.3 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.273 1.029 . . . . 0.0 110.72 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -60.7 -42.99 98.31 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.928 0.891 . . . . 0.0 112.405 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -55.78 -49.36 73.38 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.488 1.515 . . . . 0.0 111.684 174.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -65.15 -46.67 79.97 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.74 0.816 . . . . 0.0 112.546 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -63.28 -40.62 97.88 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.853 0.861 . . . . 0.0 112.083 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.16 84.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.96 0.904 . . . . 0.0 112.343 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.97 94.09 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.437 0.695 . . . . 0.0 112.351 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -63.16 -43.09 99.27 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.371 1.068 . . . . 0.0 111.421 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.73 -34.23 77.41 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.903 0.881 . . . . 0.0 113.24 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.18 -43.59 73.9 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.472 -0.767 . . . . 0.0 112.735 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.61 -27.36 55.72 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.59 -46.86 86.34 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.61 0.764 . . . . 0.0 112.5 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -74.26 -29.93 61.9 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.863 0.865 . . . . 0.0 112.7 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.68 -42.81 85.94 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.086 0.954 . . . . 0.0 112.596 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -76.03 -14.95 60.21 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 20.9 ttp-105 -90.9 -12.45 36.1 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.844 2.057 . . . . 0.0 113.916 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.306 1.443 . . . . 0.0 113.669 175.593 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 112.102 -0.399 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.55 154.16 72.17 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.849 3.033 . . . . 0.0 112.552 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.86 -19.6 79.75 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 124.45 1.024 . . . . 0.0 114.838 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.8 m -145.89 147.48 31.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.076 1.75 . . . . 0.0 111.499 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -86.64 -6.34 58.89 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -173.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -77.83 30.61 0.16 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.412 1.885 . . . . 0.0 113.587 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.19 67.31 3.13 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.851 2.06 . . . . 0.0 113.763 -169.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.92 39.77 30.83 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.284 1.834 . . . . 0.0 114.192 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -57.56 146.17 65.9 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.16 0.984 . . . . 0.0 112.166 172.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -70.86 166.14 29.92 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 123.744 2.962 . . . . 0.0 113.289 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 tt -60.78 -31.0 48.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -63.42 -36.81 84.98 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.794 0.838 . . . . 0.0 112.587 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -72.23 -51.84 19.2 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.543 0.737 . . . . 0.0 111.64 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -64.98 -30.87 71.89 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.631 1.105 . . . . 0.0 112.553 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -65.51 -43.57 89.67 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.896 1.278 . . . . 0.0 112.227 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.04 74.66 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.229 -1.545 . . . . 0.0 112.8 173.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.79 -45.38 82.61 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.961 0.905 . . . . 0.0 111.684 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.27 -32.96 74.89 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.692 1.133 . . . . 0.0 112.289 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -66.09 -52.57 47.48 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.72 0.691 . . . . 0.0 112.592 173.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.24 -26.71 64.93 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -66.28 -27.33 67.85 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.173 -0.954 . . . . 0.0 112.926 169.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.4 mtt -91.8 2.58 56.41 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.11 1.364 . . . . 0.0 113.451 172.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.08 6.64 89.07 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 124.846 1.213 . . . . 0.0 115.24 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.92 123.75 27.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.911 1.355 . . . . 0.0 111.275 173.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -97.13 -3.36 41.24 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.917 1.287 . . . . 0.0 113.864 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.84 -163.84 39.55 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.732 1.634 . . . . 0.0 115.162 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.89 -178.9 41.78 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 126.078 1.799 . . . . 0.0 112.676 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.17 -15.63 1.9 Allowed Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.233 1.397 . . . . 0.0 114.474 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 p -66.38 156.5 34.39 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.306 1.043 . . . . 0.0 112.626 170.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 174.77 -156.16 22.28 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.666 1.127 . . . . 0.0 112.642 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.96 -127.89 10.57 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 123.926 0.774 . . . . 0.0 113.646 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.87 3.74 0.06 OUTLIER Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.016 1.293 . . . . 0.0 115.244 -175.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 m -69.11 161.26 29.45 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.843 1.322 . . . . 0.0 110.681 171.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 26.9 mmt -53.77 -36.79 62.77 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -174.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -69.1 -23.92 64.07 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.853 -1.154 . . . . 0.0 113.525 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -76.55 -49.01 17.47 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.203 1.001 . . . . 0.0 111.366 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -66.87 -38.9 82.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.854 1.262 . . . . 0.0 111.977 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.01 -47.2 83.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.18 0.9 . . . . 0.0 111.428 174.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -68.81 -41.7 78.29 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.218 -0.926 . . . . 0.0 113.011 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.38 -49.68 72.89 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.597 0.635 . . . . 0.0 111.662 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.5 tp -75.7 -34.68 60.4 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.641 0.777 . . . . 0.0 112.837 -170.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.16 72.69 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.74 -43.86 95.22 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.399 1.08 . . . . 0.0 111.424 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -65.53 -41.75 92.74 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.46 -41.03 93.29 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.801 0.841 . . . . 0.0 112.303 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.9 m -61.72 -40.77 96.22 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.138 0.975 . . . . 0.0 111.808 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -68.14 -34.65 76.74 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.946 -1.096 . . . . 0.0 113.23 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.0 mt -59.08 -48.46 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.453 -0.779 . . . . 0.0 110.074 170.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -62.57 -40.3 96.42 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.221 1.008 . . . . 0.0 112.552 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -59.08 -48.69 80.67 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.345 1.058 . . . . 0.0 112.084 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.83 -42.61 94.8 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.611 0.765 . . . . 0.0 111.98 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -61.6 -41.81 97.98 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.694 -0.67 . . . . 0.0 112.441 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.02 96.73 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.709 0.686 . . . . 0.0 112.146 177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.15 93.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.145 0.578 . . . . 0.0 112.44 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -62.61 -47.4 83.96 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.829 1.252 . . . . 0.0 111.161 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -64.25 -36.47 84.19 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.123 0.969 . . . . 0.0 113.241 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.07 78.03 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.587 0.755 . . . . 0.0 112.908 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 pp -78.56 -37.1 43.52 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.737 0.699 . . . . 0.0 112.404 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.89 -40.75 95.59 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.133 -0.98 . . . . 0.0 112.611 -175.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -68.76 -24.18 64.41 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.26 -17.19 61.36 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.531 1.133 . . . . 0.0 113.739 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -92.32 3.35 55.59 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.483 1.513 . . . . 0.0 114.67 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -131.29 41.44 3.33 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 126.036 1.734 . . . . 0.0 114.266 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.203 1.401 . . . . 0.0 112.999 173.081 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.934 -0.466 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -59.49 154.87 44.91 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.202 3.268 . . . . 0.0 114.302 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.16 -13.22 0.96 Allowed Glycine 0 CA--C 1.537 1.427 0 N-CA-C 115.454 0.941 . . . . 0.0 115.454 176.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 77.8 p -73.7 -16.91 61.18 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -72.91 159.09 34.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.257 1.823 . . . . 0.0 113.14 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -65.98 123.36 19.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.725 0.81 . . . . 0.0 110.66 169.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -125.04 40.86 3.65 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.897 1.679 . . . . 0.0 110.989 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 59.22 40.29 21.7 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.105 1.762 . . . . 0.0 112.537 -166.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.23 151.1 96.25 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.325 1.45 . . . . 0.0 112.693 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.34 159.69 52.75 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 123.51 2.807 . . . . 0.0 112.803 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.2 tt -57.32 -32.87 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.169 0.988 . . . . 0.0 113.452 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.5 -25.14 67.34 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.642 1.177 . . . . 0.0 112.769 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -80.71 -59.35 2.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.536 0.734 . . . . 0.0 111.408 170.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.53 -32.8 74.6 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.713 -1.242 . . . . 0.0 113.593 -171.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.0 t -69.85 -23.46 63.29 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.443 1.097 . . . . 0.0 112.896 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.19 -36.26 19.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.501 1.121 . . . . 0.0 112.802 169.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.09 -39.12 88.73 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.336 -0.853 . . . . 0.0 112.628 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.95 -35.37 79.9 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.365 0.984 . . . . 0.0 112.458 174.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -72.68 -40.79 65.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.061 0.945 . . . . 0.0 111.153 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -63.77 -39.46 94.32 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.383 1.473 . . . . 0.0 112.479 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.51 -33.57 76.21 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.612 0.765 . . . . 0.0 112.467 171.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 31.9 mtm -81.7 10.32 6.33 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.804 1.242 . . . . 0.0 113.972 170.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.54 11.18 83.45 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 125.178 1.371 . . . . 0.0 116.133 171.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -70.82 153.17 42.98 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.318 1.559 . . . . 0.0 112.225 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -75.5 -9.75 58.85 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.256 1.422 . . . . 0.0 114.149 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -176.32 -167.4 35.0 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.225 1.393 . . . . 0.0 113.454 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 173.73 -173.61 45.89 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.569 1.081 . . . . 0.0 113.391 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 179.1 178.84 48.54 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.939 1.257 . . . . 0.0 112.562 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 58.7 p -66.53 139.46 57.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.223 1.009 . . . . 0.0 113.499 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.4 171.59 45.96 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.376 0.988 . . . . 0.0 112.819 164.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -74.59 170.52 53.78 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.176 0.893 . . . . 0.0 114.096 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -84.59 -7.11 84.93 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 124.684 1.135 . . . . 0.0 115.633 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 43.2 m -68.14 149.59 49.41 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.853 1.327 . . . . 0.0 112.16 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 20.7 mmt -57.35 -35.56 70.08 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.429 1.092 . . . . 0.0 113.426 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.03 -23.12 65.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -88.32 -47.59 8.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.722 1.209 . . . . 0.0 111.372 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 tt -61.35 -39.54 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.665 1.186 . . . . 0.0 112.282 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -61.93 -42.14 98.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.938 0.79 . . . . 0.0 112.336 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -63.83 -43.44 96.19 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.503 0.721 . . . . 0.0 112.073 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.39 -50.37 67.89 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.541 0.737 . . . . 0.0 111.751 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.0 tp -73.83 -27.97 61.37 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.566 0.746 . . . . 0.0 112.975 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.21 74.15 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.563 -0.71 . . . . 0.0 112.729 169.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -65.55 -43.01 91.21 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.051 1.341 . . . . 0.0 111.826 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 75.3 p -68.0 -38.02 82.13 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.352 0.661 . . . . 0.0 112.579 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.11 -42.19 96.96 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.941 0.897 . . . . 0.0 111.965 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 77.0 m -59.36 -37.32 77.6 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.563 0.745 . . . . 0.0 111.754 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -70.1 -29.24 66.15 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.094 -1.004 . . . . 0.0 113.302 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.38 -48.23 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.447 1.021 . . . . 0.0 109.749 171.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.05 -41.65 97.01 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.085 0.954 . . . . 0.0 111.967 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.87 86.97 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.61 1.564 . . . . 0.0 112.354 172.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -45.93 91.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.451 0.7 . . . . 0.0 111.765 177.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -61.16 -43.68 98.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.468 0.707 . . . . 0.0 112.058 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.62 -43.91 97.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.549 0.74 . . . . 0.0 112.382 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.1 88.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.598 0.759 . . . . 0.0 112.668 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -62.81 -42.69 99.82 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 111.225 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.29 -46.11 90.22 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.687 -1.258 . . . . 0.0 112.031 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -63.42 -31.09 72.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.246 1.018 . . . . 0.0 113.733 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.0 pp -85.81 -31.89 22.06 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 172.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.29 -25.63 67.72 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.258 1.39 . . . . 0.0 113.193 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -78.13 -5.45 51.65 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.861 -1.15 . . . . 0.0 113.929 171.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -122.3 -37.75 2.77 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.524 1.529 . . . . 0.0 114.138 -173.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -66.04 -13.55 60.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.548 1.539 . . . . 0.0 114.48 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -73.04 -7.94 53.48 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 127.085 2.154 . . . . 0.0 115.35 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 126.061 1.744 . . . . 0.0 113.409 176.187 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.483 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -73.21 -22.02 19.55 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 124.003 3.135 . . . . 0.0 114.191 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.76 175.4 53.55 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.061 1.315 . . . . 0.0 114.56 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -151.25 163.82 38.01 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.445 1.498 . . . . 0.0 111.569 177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -65.52 143.1 57.87 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.198 0.999 . . . . 0.0 113.072 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -74.97 171.23 14.46 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.49 0.716 . . . . 0.0 111.623 162.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 64.68 144.54 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.193 2.197 . . . . 0.0 114.403 -170.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.39 22.21 3.67 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.704 1.602 . . . . 0.0 114.4 -172.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.31 153.29 90.07 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 125.525 1.53 . . . . 0.0 112.236 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.76 159.08 50.3 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.089 2.526 . . . . 0.0 113.931 -170.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 tp -60.29 -31.39 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.995 1.318 . . . . 0.0 113.965 -168.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -72.34 -29.74 64.09 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.322 -0.861 . . . . 0.0 113.054 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -72.12 -52.21 17.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.83 -1.169 . . . . 0.0 111.703 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.07 -31.53 72.46 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 121.417 -0.802 . . . . 0.0 112.503 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.5 t -62.6 -50.03 72.9 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.151 0.98 . . . . 0.0 111.819 169.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.07 72.27 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.724 -1.235 . . . . 0.0 112.545 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.33 -52.89 50.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.249 1.02 . . . . 0.0 111.782 173.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.88 -32.19 73.28 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.701 1.591 . . . . 0.0 112.772 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -64.17 -51.92 61.49 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.912 0.885 . . . . 0.0 111.351 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.93 -26.98 63.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.029 0.831 . . . . 0.0 113.143 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -68.5 -31.47 70.76 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.523 1.056 . . . . 0.0 112.486 170.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 73.4 mtm -78.72 -5.26 52.7 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 166.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.09 15.58 74.48 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.87 1.224 . . . . 0.0 114.563 -174.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -93.19 132.78 37.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.891 1.676 . . . . 0.0 112.325 -175.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -83.59 -28.76 28.3 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.674 0.79 . . . . 0.0 112.307 168.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.19 -174.05 42.64 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.289 1.423 . . . . 0.0 114.654 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.69 -165.77 54.43 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.633 1.111 . . . . 0.0 114.6 -177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.05 30.0 66.05 Favored Glycine 0 CA--C 1.536 1.398 0 N-CA-C 114.778 0.671 . . . . 0.0 114.778 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 m -55.5 132.03 47.54 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.369 1.468 . . . . 0.0 113.487 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.4 -0.03 85.87 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.589 1.09 . . . . 0.0 115.67 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.96 -26.61 73.24 Favored Glycine 0 CA--C 1.537 1.432 0 CA-C-N 118.794 1.297 . . . . 0.0 114.935 -175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.24 19.08 65.89 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.348 0.975 . . . . 0.0 115.18 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -68.63 159.2 32.49 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.679 1.239 . . . . 0.0 112.324 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.1 tpt -61.85 -24.26 66.79 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.083 0.953 . . . . 0.0 112.789 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -82.36 -23.1 35.19 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.89 0.876 . . . . 0.0 113.134 172.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -74.08 -44.56 53.62 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.884 -1.135 . . . . 0.0 111.422 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.7 tt -60.64 -40.48 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.869 0.867 . . . . 0.0 112.073 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -55.97 -53.7 53.73 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.99 0.814 . . . . 0.0 111.52 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -64.76 -47.83 76.76 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.496 0.718 . . . . 0.0 112.179 -177.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 tp -68.24 -38.7 82.09 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.808 -0.557 . . . . 0.0 112.474 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.3 tp -73.45 -33.96 65.16 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.748 0.819 . . . . 0.0 112.3 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.6 88.39 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.39 -0.819 . . . . 0.0 112.893 172.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.05 -45.51 93.23 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.479 1.036 . . . . 0.0 111.854 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.1 t -58.0 -46.32 85.43 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 173.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.13 -42.1 98.91 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.145 -0.972 . . . . 0.0 112.916 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -61.8 -37.48 84.54 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.078 -1.014 . . . . 0.0 111.73 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.67 -35.13 79.42 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.229 -0.919 . . . . 0.0 113.158 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.6 mt -58.52 -50.83 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.781 0.833 . . . . 0.0 109.632 172.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -64.24 -38.47 91.16 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.386 1.074 . . . . 0.0 112.636 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -59.79 -44.46 93.94 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.428 1.091 . . . . 0.0 112.14 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.69 -50.04 64.16 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.067 0.947 . . . . 0.0 111.751 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.19 -38.07 89.72 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.47 96.79 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.379 0.672 . . . . 0.0 111.903 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.96 67.79 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.612 0.765 . . . . 0.0 112.18 175.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.61 -48.53 81.29 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.028 1.331 . . . . 0.0 111.674 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.88 -36.98 86.12 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.974 0.91 . . . . 0.0 113.325 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.31 -44.61 67.95 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 pp -74.98 -30.79 61.27 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -61.59 -57.52 11.73 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.618 1.099 . . . . 0.0 111.944 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -63.56 -23.72 67.51 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.16 -27.67 42.72 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -117.18 -3.46 11.5 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -170.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -73.73 -25.21 60.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.397 2.279 . . . . 0.0 114.033 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 . . . . . 0 C--O 1.255 1.348 0 C-N-CA 127.027 2.131 . . . . 0.0 112.786 175.247 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 CA-C-O 119.361 -0.688 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -60.64 150.03 84.22 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 124.372 3.381 . . . . 0.0 114.042 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.51 147.14 41.69 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.081 0.848 . . . . 0.0 112.659 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 24.9 t -118.29 143.45 46.58 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.212 1.405 . . . . 0.0 111.361 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -71.19 138.96 49.96 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.311 1.044 . . . . 0.0 112.406 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -75.59 139.84 42.31 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.535 0.734 . . . . 0.0 112.305 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.53 145.17 17.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.84 1.256 . . . . 0.0 112.047 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.07 19.32 2.03 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.106 2.162 . . . . 0.0 116.356 171.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.66 153.3 95.27 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.807 1.243 . . . . 0.0 112.177 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -69.04 162.73 40.5 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.203 2.602 . . . . 0.0 113.035 -175.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.4 tt -60.74 -30.79 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -62.71 -35.72 80.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.328 0.651 . . . . 0.0 112.057 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -74.72 -51.26 14.72 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.687 0.795 . . . . 0.0 111.939 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.27 -33.04 74.48 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.225 -0.922 . . . . 0.0 112.794 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.0 t -61.68 -46.6 89.04 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.669 0.788 . . . . 0.0 111.866 167.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.67 81.28 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.767 -1.208 . . . . 0.0 112.951 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.2 -50.39 66.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.007 0.923 . . . . 0.0 111.558 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.9 -30.46 70.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.195 1.362 . . . . 0.0 112.547 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -67.8 -45.87 73.55 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.23 1.012 . . . . 0.0 112.068 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -66.8 -33.17 75.03 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.751 0.82 . . . . 0.0 112.847 175.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -61.63 -40.57 95.34 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.201 0.91 . . . . 0.0 112.452 170.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 72.3 mtm -85.33 1.39 48.66 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.632 1.173 . . . . 0.0 114.16 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.85 31.32 67.31 Favored Glycine 0 CA--C 1.541 1.718 0 O-C-N 121.027 -1.045 . . . . 0.0 114.367 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -60.28 154.28 20.4 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.973 1.309 . . . . 0.0 112.991 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -74.72 -2.73 27.69 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.799 1.639 . . . . 0.0 113.93 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -164.2 -167.42 24.69 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.758 1.647 . . . . 0.0 112.742 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -162.39 170.72 38.07 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.515 1.055 . . . . 0.0 113.349 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.6 11.04 83.06 Favored Glycine 0 CA--C 1.539 1.535 0 N-CA-C 115.236 0.855 . . . . 0.0 115.236 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 33.0 t -67.41 131.68 46.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.524 1.162 . . . . 0.0 111.466 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.18 -179.57 50.84 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.158 1.361 . . . . 0.0 115.902 -172.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 179.38 167.57 36.98 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.889 1.709 . . . . 0.0 112.236 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -170.28 -17.07 0.02 OUTLIER Glycine 0 CA--C 1.536 1.345 0 N-CA-C 116.614 1.405 . . . . 0.0 116.614 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 31.2 t -78.55 158.65 28.48 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.463 1.632 . . . . 0.0 111.338 170.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -38.74 71.13 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.291 1.036 . . . . 0.0 112.623 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -66.07 -24.81 66.79 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -74.32 -52.73 11.37 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.543 0.737 . . . . 0.0 110.442 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.7 tt -63.83 -40.24 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.99 0.916 . . . . 0.0 112.085 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -56.83 -48.49 77.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.571 1.078 . . . . 0.0 111.626 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -67.36 -48.46 67.41 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.981 0.513 . . . . 0.0 111.743 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.47 -42.33 95.98 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.961 0.904 . . . . 0.0 112.742 -175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 29.0 tp -74.49 -31.75 62.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.622 1.169 . . . . 0.0 112.596 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.07 -32.46 69.13 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.468 -0.77 . . . . 0.0 112.823 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.94 -48.34 74.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.286 1.034 . . . . 0.0 112.342 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 69.1 p -64.12 -36.44 84.05 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.675 0.79 . . . . 0.0 112.739 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.3 -40.27 95.76 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.033 -1.042 . . . . 0.0 112.628 171.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 95.1 m -60.36 -37.56 81.09 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.281 -0.887 . . . . 0.0 111.961 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -68.44 -34.99 76.96 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.278 -0.889 . . . . 0.0 113.085 175.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.12 -52.17 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.558 1.072 . . . . 0.0 109.482 170.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -59.28 -39.52 83.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.321 0.648 . . . . 0.0 112.278 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -59.81 -52.76 64.06 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.217 1.007 . . . . 0.0 112.098 174.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.22 -35.12 66.26 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.478 0.711 . . . . 0.0 112.903 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -63.57 -44.0 95.36 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.924 0.784 . . . . 0.0 111.471 173.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.79 90.21 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.8 82.3 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.423 0.689 . . . . 0.0 112.389 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.1 -36.23 82.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.238 0.615 . . . . 0.0 111.96 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -65.07 -40.61 94.92 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.08 -1.012 . . . . 0.0 112.585 173.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.68 77.5 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.83 -26.53 49.53 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.62 -39.23 93.15 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.206 -0.934 . . . . 0.0 113.185 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -75.33 -22.6 57.5 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -74.78 -48.5 25.15 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.652 0.781 . . . . 0.0 111.73 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -89.53 42.08 1.07 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.467 1.907 . . . . 0.0 113.007 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -78.65 3.12 17.25 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -172.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 . . . . . 0 N--CA 1.484 1.231 0 C-N-CA 126.204 1.801 . . . . 0.0 114.477 -175.085 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -62.59 126.9 19.33 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.633 2.888 . . . . 0.0 110.756 177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.69 -7.23 0.13 Allowed Glycine 0 CA--C 1.54 1.628 0 N-CA-C 116.247 1.259 . . . . 0.0 116.247 -174.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -72.88 -5.2 36.75 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.123 1.461 . . . . 0.0 114.657 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -63.89 152.26 40.26 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.311 1.845 . . . . 0.0 113.471 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -70.07 126.97 31.23 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.958 1.303 . . . . 0.0 111.733 172.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.11 133.19 10.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.032 1.333 . . . . 0.0 111.277 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.22 27.81 3.74 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 176.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.72 149.26 96.15 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 124.208 1.003 . . . . 0.0 112.502 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -66.2 154.84 72.59 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.329 2.686 . . . . 0.0 112.529 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.5 tt -61.26 -30.17 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -169.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -63.61 -28.62 70.05 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -76.13 -56.59 4.51 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.543 -0.723 . . . . 0.0 111.807 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.13 -34.19 75.89 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.401 -0.812 . . . . 0.0 112.926 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 m -71.83 -25.08 61.83 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.839 0.856 . . . . 0.0 113.242 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.13 -29.11 23.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.262 1.025 . . . . 0.0 112.8 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mp -61.48 -43.63 98.52 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.115 0.966 . . . . 0.0 112.188 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.06 -37.03 85.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.074 0.852 . . . . 0.0 112.788 176.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -72.86 -39.41 66.51 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.851 0.861 . . . . 0.0 112.666 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -76.85 -23.8 52.68 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.937 0.79 . . . . 0.0 112.981 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -68.94 -29.2 67.4 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 121.013 -1.055 . . . . 0.0 112.784 167.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.7 mtm -82.59 -10.52 58.93 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.025 1.33 . . . . 0.0 114.207 167.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.08 27.57 68.24 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.933 1.254 . . . . 0.0 114.873 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -70.34 -27.13 64.11 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -177.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 52.71 35.56 18.77 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.942 2.097 . . . . 0.0 114.663 175.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.83 -158.83 19.04 Favored Glycine 0 CA--C 1.533 1.164 0 O-C-N 120.913 -1.117 . . . . 0.0 113.667 -177.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.0 -168.08 22.1 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.954 1.74 . . . . 0.0 113.822 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.28 -163.94 54.87 Favored Glycine 0 CA--C 1.544 1.848 0 C-N-CA 124.625 1.107 . . . . 0.0 114.294 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.6 m -71.21 129.67 39.5 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 119.127 -2.396 . . . . 0.0 112.744 -0.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.36 -164.03 20.65 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.794 1.188 . . . . 0.0 114.948 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 168.43 135.77 1.94 Allowed Glycine 0 CA--C 1.534 1.227 0 C-N-CA 123.999 0.809 . . . . 0.0 113.005 173.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.26 -6.15 0.05 OUTLIER Glycine 0 CA--C 1.538 1.524 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 176.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.1 p -74.05 170.36 15.61 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.745 1.773 . . . . 0.0 112.843 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 9.0 tpt -65.42 -16.1 63.28 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -81.02 -43.62 19.31 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.917 0.887 . . . . 0.0 112.065 170.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -65.9 -38.55 89.02 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.849 0.86 . . . . 0.0 112.939 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 tt -59.92 -40.02 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 123.844 0.858 . . . . 0.0 112.138 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -64.84 -43.24 93.7 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.557 0.617 . . . . 0.0 111.458 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -64.99 -49.87 68.58 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.392 0.677 . . . . 0.0 112.097 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.67 -44.16 91.26 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.765 0.826 . . . . 0.0 111.939 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 tp -72.45 -34.4 67.74 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.21 83.02 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.499 0.719 . . . . 0.0 112.222 170.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -57.05 -45.27 83.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.537 1.135 . . . . 0.0 112.065 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 t -61.93 -42.48 99.15 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.536 0.734 . . . . 0.0 112.634 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.22 -42.51 98.72 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.399 -0.813 . . . . 0.0 112.959 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 95.4 m -58.17 -39.58 79.23 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 118.899 0.772 . . . . 0.0 113.033 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -68.62 -32.2 71.9 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.31 -48.56 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.921 0.889 . . . . 0.0 110.319 174.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -65.7 -37.67 87.1 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.6 1.16 . . . . 0.0 112.594 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.4 ttp85 -59.89 -46.99 87.59 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.195 0.998 . . . . 0.0 111.982 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.67 -43.99 87.62 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.39 0.676 . . . . 0.0 112.263 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -64.97 -37.71 88.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.642 0.655 . . . . 0.0 112.464 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.48 95.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.347 0.659 . . . . 0.0 111.596 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.78 94.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.61 0.764 . . . . 0.0 112.993 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -64.98 -44.87 87.88 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.196 0.998 . . . . 0.0 111.384 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -65.38 -35.02 79.68 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.726 -1.234 . . . . 0.0 112.709 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.1 78.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.258 1.023 . . . . 0.0 113.034 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 pp -72.77 -32.74 65.83 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.205 0.911 . . . . 0.0 112.208 175.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.58 -50.35 67.61 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.228 0.922 . . . . 0.0 112.12 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.93 -28.26 68.15 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.465 -0.772 . . . . 0.0 112.94 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.27 -19.0 62.4 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 175.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -113.01 0.23 14.96 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.754 1.622 . . . . 0.0 114.2 -177.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 53.6 tpt85 -72.58 -17.38 61.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.714 2.006 . . . . 0.0 115.038 -175.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 127.044 2.138 . . . . 0.0 112.578 -175.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.3 157.01 63.65 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.994 3.129 . . . . 0.0 112.891 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.68 167.15 54.85 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.502 1.048 . . . . 0.0 114.36 175.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.8 t -149.28 -178.38 6.37 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.43 1.892 . . . . 0.0 110.757 178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -56.11 108.8 0.5 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.393 1.477 . . . . 0.0 112.262 -175.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 53.36 24.64 3.99 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.436 1.894 . . . . 0.0 115.227 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -135.88 119.85 17.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.373 1.069 . . . . 0.0 111.616 -169.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.8 37.71 28.97 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.017 1.327 . . . . 0.0 113.032 -174.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pp -61.08 152.53 70.92 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 126.259 1.824 . . . . 0.0 112.492 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -62.49 158.13 42.73 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.658 2.905 . . . . 0.0 113.584 -173.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.3 tt -63.02 -32.2 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -172.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -70.54 -23.45 62.63 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.262 -0.899 . . . . 0.0 112.64 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -76.91 -50.35 13.5 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.273 -0.892 . . . . 0.0 111.732 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.89 -30.3 70.87 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 121.431 -0.793 . . . . 0.0 112.216 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.3 t -63.31 -42.86 99.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.979 1.311 . . . . 0.0 112.429 167.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.29 -33.51 76.15 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.321 -1.487 . . . . 0.0 113.413 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.96 -45.19 82.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.728 1.211 . . . . 0.0 112.157 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.08 -34.29 71.03 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.1 1.318 . . . . 0.0 112.439 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -64.9 -47.02 79.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.32 0.648 . . . . 0.0 112.634 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.42 -27.32 65.17 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -64.18 -36.92 85.62 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.958 0.799 . . . . 0.0 112.419 170.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 33.9 mtt -78.12 -5.04 50.37 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.803 1.241 . . . . 0.0 113.242 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 84.11 11.92 77.62 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.838 1.209 . . . . 0.0 114.946 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -70.35 152.78 43.74 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.02 1.41 . . . . 0.0 111.268 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -69.82 -16.26 63.24 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -166.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 177.58 -165.16 34.71 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.319 0.963 . . . . 0.0 114.744 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.41 170.57 47.98 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.837 1.208 . . . . 0.0 115.044 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -168.53 164.87 38.41 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 126.054 1.788 . . . . 0.0 111.827 176.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 46.7 t -59.46 127.8 33.89 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.157 0.583 . . . . 0.0 112.506 -173.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.21 -16.83 80.21 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.016 0.817 . . . . 0.0 114.626 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.66 168.69 51.57 Favored Glycine 0 CA--C 1.54 1.634 0 CA-C-N 118.242 1.021 . . . . 0.0 114.71 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -169.81 -16.99 0.02 OUTLIER Glycine 0 CA--C 1.54 1.633 0 O-C-N 119.351 -2.264 . . . . 0.0 116.026 -1.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 37.0 t -74.61 158.86 32.95 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.042 1.421 . . . . 0.0 111.024 166.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.44 -35.2 69.79 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.989 -1.069 . . . . 0.0 112.873 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -67.22 -24.23 65.81 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -77.1 -49.87 14.32 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.117 -0.99 . . . . 0.0 111.409 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 13.2 tt -64.63 -40.58 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.717 0.807 . . . . 0.0 112.021 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.29 -39.54 87.25 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.403 1.001 . . . . 0.0 111.798 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -74.24 -49.5 23.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.832 0.742 . . . . 0.0 112.349 176.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.99 -40.39 87.35 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.08 0.952 . . . . 0.0 113.124 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.53 -28.12 60.83 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.642 0.777 . . . . 0.0 112.59 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.27 -31.74 64.26 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 121.209 -0.932 . . . . 0.0 113.057 169.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -62.8 -49.62 74.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.079 1.352 . . . . 0.0 111.564 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 77.0 p -65.67 -37.39 86.38 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.678 0.791 . . . . 0.0 112.873 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.55 -39.68 95.03 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.135 0.88 . . . . 0.0 112.615 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 99.9 m -64.19 -39.96 95.1 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 120.636 -1.29 . . . . 0.0 111.632 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -66.6 -28.93 68.89 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.519 1.128 . . . . 0.0 112.495 175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.62 -60.32 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 120.26 1.391 . . . . 0.0 109.559 164.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -57.15 -42.41 80.97 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.641 0.776 . . . . 0.0 112.671 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -68.32 -32.69 72.98 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.78 -39.72 56.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.086 0.955 . . . . 0.0 112.174 174.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -59.48 -43.5 93.26 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.587 0.63 . . . . 0.0 111.256 171.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.63 90.5 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.17 0.988 . . . . 0.0 112.696 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.71 98.45 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.364 0.983 . . . . 0.0 112.921 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.69 -40.44 97.12 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.28 1.032 . . . . 0.0 111.467 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -73.43 -30.6 63.32 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 121.16 -0.963 . . . . 0.0 113.351 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -72.3 -42.55 65.34 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.551 1.14 . . . . 0.0 113.14 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.11 -33.91 75.4 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.365 -0.834 . . . . 0.0 112.324 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.31 -44.63 87.27 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.591 0.756 . . . . 0.0 112.069 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -76.77 -26.67 54.78 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.58 74.38 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.429 -0.795 . . . . 0.0 113.001 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.4 -9.5 58.9 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -175.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -103.08 -2.5 27.37 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.939 1.696 . . . . 0.0 115.299 174.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 125.306 1.442 . . . . 0.0 113.774 -179.093 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.94 143.46 99.58 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.173 3.249 . . . . 0.0 113.686 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 178.67 22.91 0.03 OUTLIER Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.026 0.822 . . . . 0.0 115.093 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m -64.93 147.06 54.09 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.838 1.255 . . . . 0.0 113.756 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -69.33 153.84 42.97 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 124.762 1.225 . . . . 0.0 112.367 174.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.57 109.6 5.62 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.535 0.734 . . . . 0.0 110.359 172.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.97 140.52 17.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.681 1.192 . . . . 0.0 111.86 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.37 14.78 0.84 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 117.136 2.272 . . . . 0.0 117.136 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 9' ' ' LEU . 1.7 pp -67.95 153.06 95.85 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 124.76 1.224 . . . . 0.0 111.299 168.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -68.05 159.91 50.96 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.849 2.366 . . . . 0.0 113.198 -170.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 tt -65.31 -31.54 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -71.64 -26.4 62.54 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.418 -0.801 . . . . 0.0 112.528 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -71.99 -52.01 19.11 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.778 -1.202 . . . . 0.0 111.071 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.05 -33.02 74.86 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 119.016 0.826 . . . . 0.0 112.589 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -66.99 -42.43 85.06 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.74 0.816 . . . . 0.0 112.4 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.67 81.89 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.513 -1.367 . . . . 0.0 113.001 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -65.01 -51.71 60.13 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.886 0.875 . . . . 0.0 111.709 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.01 -34.05 76.72 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.324 1.42 . . . . 0.0 112.465 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -72.53 -39.62 67.39 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.565 -0.709 . . . . 0.0 112.202 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -69.1 -34.51 75.2 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.633 0.773 . . . . 0.0 112.801 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -63.05 -33.65 75.89 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.024 -1.047 . . . . 0.0 112.304 170.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.7 mtm -81.46 -0.02 39.81 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.101 1.361 . . . . 0.0 114.457 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.86 12.68 80.94 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 115.83 1.092 . . . . 0.0 115.83 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -67.02 146.11 54.69 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.352 1.576 . . . . 0.0 111.422 170.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.9 p-10 -79.6 -0.54 34.1 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.549 1.14 . . . . 0.0 114.071 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.4 -147.37 12.0 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.058 1.314 . . . . 0.0 113.102 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.02 14.36 77.34 Favored Glycine 0 N--CA 1.474 1.197 0 C-N-CA 124.345 0.974 . . . . 0.0 115.306 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.32 -1.72 51.78 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 118.586 1.193 . . . . 0.0 115.305 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.2 p -73.75 -14.01 61.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.321 1.448 . . . . 0.0 113.925 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.13 150.59 50.38 Favored Glycine 0 CA--C 1.538 1.482 0 O-C-N 121.36 -0.838 . . . . 0.0 113.369 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.21 171.5 18.62 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 125.064 1.316 . . . . 0.0 113.804 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.68 -42.0 2.2 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.237 1.399 . . . . 0.0 115.477 174.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -66.96 145.37 55.5 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.485 1.143 . . . . 0.0 111.209 171.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.28 -29.62 68.93 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 172.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -74.43 -33.56 62.99 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.116 -0.99 . . . . 0.0 112.382 173.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -73.73 -45.44 52.01 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.588 0.755 . . . . 0.0 112.354 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -62.33 -42.0 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.64 -0.662 . . . . 0.0 112.242 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -60.91 -44.89 96.54 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.784 0.72 . . . . 0.0 110.877 177.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -67.88 -51.2 50.85 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.06 -45.02 90.63 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.19 -0.944 . . . . 0.0 112.148 -176.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -73.49 -25.64 60.54 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.43 50.07 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 168.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -66.49 -45.68 78.8 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.761 -1.212 . . . . 0.0 111.776 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 p -64.56 -36.01 82.83 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.76 -41.79 98.15 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.352 0.978 . . . . 0.0 111.905 171.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.1 m -62.29 -37.3 85.01 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.346 -0.846 . . . . 0.0 111.956 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -66.64 -35.52 80.37 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.093 -1.004 . . . . 0.0 113.358 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.7 mt -60.18 -48.12 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.958 0.799 . . . . 0.0 109.988 172.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -60.81 -41.33 95.48 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.928 0.891 . . . . 0.0 112.209 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -63.51 -47.29 82.31 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.426 1.09 . . . . 0.0 112.311 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.18 -37.31 80.83 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.455 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.62 -46.12 91.47 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.324 0.965 . . . . 0.0 112.28 170.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.21 96.96 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.277 0.631 . . . . 0.0 112.674 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.07 94.09 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.8 0.84 . . . . 0.0 112.611 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -63.67 -42.98 97.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.543 0.737 . . . . 0.0 111.142 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -64.58 -32.61 74.33 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.664 -1.273 . . . . 0.0 113.226 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.45 -40.06 73.94 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.99 -25.66 40.21 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.01 -50.12 75.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.092 0.957 . . . . 0.0 111.896 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -76.04 -20.22 57.97 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.29 -45.38 60.29 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.443 -0.786 . . . . 0.0 111.667 172.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.18 57.79 2.06 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.572 1.549 . . . . 0.0 110.74 173.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -62.7 -29.75 70.89 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.07 1.348 . . . . 0.0 114.566 -174.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 127.797 2.439 . . . . 0.0 112.196 -170.891 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 111.977 -0.449 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -68.96 157.81 60.41 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 124.125 3.217 . . . . 0.0 112.973 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -73.16 176.9 43.51 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.492 1.044 . . . . 0.0 114.049 173.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 80.1 p -71.95 -21.32 61.61 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -77.79 143.09 38.21 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.638 1.575 . . . . 0.0 112.388 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -77.33 146.92 36.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.655 0.782 . . . . 0.0 111.334 169.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -136.71 -16.42 1.52 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.35 -0.38 49.54 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.538 1.135 . . . . 0.0 114.011 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.74 154.69 12.73 Favored Pre-proline 0 CA--C 1.553 1.077 0 C-N-CA 125.918 1.687 . . . . 0.0 112.808 171.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -64.83 158.13 52.61 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 122.969 2.446 . . . . 0.0 113.231 -174.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 15.2 tt -67.36 -27.91 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -167.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -69.6 -27.88 65.47 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.123 -0.986 . . . . 0.0 112.549 172.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -73.08 -49.62 27.51 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.099 0.96 . . . . 0.0 112.106 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.81 -31.99 72.98 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.082 -1.011 . . . . 0.0 112.766 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 48.1 t -64.68 -38.59 91.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.119 0.968 . . . . 0.0 112.631 169.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.99 83.64 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.706 -1.246 . . . . 0.0 112.482 171.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.13 -45.94 91.33 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.162 0.985 . . . . 0.0 112.872 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.12 -35.45 80.53 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.764 1.166 . . . . 0.0 111.997 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -68.43 -40.08 81.3 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.466 1.106 . . . . 0.0 111.273 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -67.79 -33.58 75.1 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.186 1.394 . . . . 0.0 112.958 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -64.06 -26.66 68.65 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.82 -1.175 . . . . 0.0 112.788 169.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 59.9 mtm -94.56 15.32 18.26 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.928 1.691 . . . . 0.0 113.657 170.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.42 4.99 90.31 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 126.088 1.804 . . . . 0.0 116.662 170.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -80.01 166.8 21.21 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 118.992 1.396 . . . . 0.0 112.56 177.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -76.02 3.21 10.81 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.534 1.534 . . . . 0.0 114.502 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.96 178.67 43.33 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.006 1.289 . . . . 0.0 113.955 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.26 159.74 51.86 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.574 1.083 . . . . 0.0 114.331 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -160.76 -0.95 0.07 OUTLIER Glycine 0 CA--C 1.538 1.508 0 N-CA-C 116.461 1.344 . . . . 0.0 116.461 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 33.7 t -157.95 146.08 18.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.858 1.329 . . . . 0.0 111.224 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 62.97 -149.39 49.66 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.321 0.963 . . . . 0.0 113.692 -176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 91.13 34.05 7.81 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.767 1.175 . . . . 0.0 114.194 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.12 -11.44 0.05 OUTLIER Glycine 0 CA--C 1.538 1.53 0 N-CA-C 116.546 1.378 . . . . 0.0 116.546 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 64.6 m -77.05 160.75 28.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.447 1.624 . . . . 0.0 112.102 173.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 10.0 tpt -64.81 -19.47 65.86 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.072 0.949 . . . . 0.0 113.549 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -78.52 -34.92 46.97 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.542 1.137 . . . . 0.0 112.698 168.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -70.44 -38.48 74.54 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.281 -0.887 . . . . 0.0 112.538 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 16.7 tt -60.11 -41.42 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 123.984 0.914 . . . . 0.0 111.827 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -61.31 -46.11 91.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.912 0.778 . . . . 0.0 111.15 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -65.06 -52.32 56.44 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.52 0.728 . . . . 0.0 112.67 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.73 -45.66 85.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.809 0.844 . . . . 0.0 112.06 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.4 tp -70.61 -32.92 70.44 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.113 0.565 . . . . 0.0 112.213 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.39 75.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.747 0.819 . . . . 0.0 113.05 169.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -65.49 -44.06 88.24 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.179 0.9 . . . . 0.0 111.687 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 66.0 m -62.22 -42.41 99.28 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 172.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.17 -42.69 95.52 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.763 0.825 . . . . 0.0 112.138 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 97.5 m -60.83 -40.77 94.03 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.417 -0.802 . . . . 0.0 111.85 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -69.49 -35.91 76.01 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.472 -0.768 . . . . 0.0 113.04 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.55 -51.68 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.295 0.952 . . . . 0.0 110.078 170.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -60.94 -40.38 93.04 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.85 0.86 . . . . 0.0 112.436 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 45.9 ttm180 -60.31 -47.72 84.83 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.564 1.146 . . . . 0.0 112.328 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.9 -39.66 79.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -61.1 -43.59 98.65 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.823 0.738 . . . . 0.0 111.999 173.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.94 99.18 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.722 0.809 . . . . 0.0 112.402 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.26 89.09 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.077 0.551 . . . . 0.0 112.462 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -62.07 -46.1 90.61 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.676 1.19 . . . . 0.0 111.067 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.32 -40.59 96.2 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.897 -1.127 . . . . 0.0 112.615 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.41 89.91 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.949 0.899 . . . . 0.0 113.14 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.5 pp -77.88 -33.54 52.01 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.944 0.793 . . . . 0.0 112.85 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.26 -39.48 83.0 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.666 1.121 . . . . 0.0 113.342 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -75.54 -16.94 60.21 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -95.09 -44.5 7.63 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.697 1.199 . . . . 0.0 113.428 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -78.26 -9.97 59.45 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.337 1.855 . . . . 0.0 114.73 -165.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -7.42 56.87 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.666 1.987 . . . . 0.0 115.398 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.718 1.607 . . . . 0.0 113.106 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.93 161.22 45.03 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.95 3.1 . . . . 0.0 113.174 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.21 -16.58 0.24 Allowed Glycine 0 CA--C 1.535 1.338 0 N-CA-C 115.595 0.998 . . . . 0.0 115.595 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.2 p -153.39 165.47 35.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.328 1.451 . . . . 0.0 111.742 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -130.08 149.05 51.97 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.141 1.376 . . . . 0.0 112.156 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -77.43 155.95 31.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.38 1.072 . . . . 0.0 112.738 171.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.82 156.81 42.01 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.771 1.629 . . . . 0.0 110.867 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.59 16.17 3.23 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.922 2.089 . . . . 0.0 115.793 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 161.1 40.14 Favored Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 126.032 1.733 . . . . 0.0 111.96 165.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.02 160.29 34.64 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.523 2.815 . . . . 0.0 113.959 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.1 -34.46 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.858 1.263 . . . . 0.0 113.597 -167.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -69.35 -30.3 68.29 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.471 0.708 . . . . 0.0 112.738 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -70.2 -56.2 7.4 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.159 0.89 . . . . 0.0 111.721 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.55 -32.66 74.37 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.725 -1.234 . . . . 0.0 113.033 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -67.89 -41.29 82.96 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.396 0.678 . . . . 0.0 112.542 171.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.03 -37.0 86.17 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.35 -1.469 . . . . 0.0 112.428 173.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -63.32 -51.73 64.81 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.103 0.961 . . . . 0.0 111.593 175.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.26 -36.84 85.41 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.884 1.22 . . . . 0.0 112.255 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -67.56 -46.26 73.22 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 118.519 -0.753 . . . . 0.0 111.74 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -73.56 -25.39 60.36 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.539 1.063 . . . . 0.0 113.323 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -65.48 -20.35 66.32 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 121.197 -0.939 . . . . 0.0 113.346 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 mtm -100.52 8.52 43.45 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.185 1.794 . . . . 0.0 113.544 168.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.93 0.54 75.91 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.594 1.569 . . . . 0.0 115.626 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -84.24 51.12 2.0 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.036 1.735 . . . . 0.0 112.155 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -63.82 -14.33 52.07 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.189 1.396 . . . . 0.0 113.72 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.32 -9.42 60.95 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.597 1.094 . . . . 0.0 114.917 170.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.23 -147.43 37.67 Favored Glycine 0 CA--C 1.534 1.277 0 CA-C-N 118.665 1.233 . . . . 0.0 114.21 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.54 175.51 43.48 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 124.961 1.267 . . . . 0.0 113.85 -171.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 m 55.71 29.61 14.08 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.69 166.91 38.59 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.413 1.006 . . . . 0.0 113.972 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.14 164.32 47.29 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.743 1.163 . . . . 0.0 114.88 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.34 -115.59 0.59 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 123.71 0.672 . . . . 0.0 112.878 -173.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -66.62 170.46 6.28 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.929 1.291 . . . . 0.0 112.069 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.3 mmt -56.78 -35.59 68.88 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.375 -1.453 . . . . 0.0 114.1 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -65.34 -35.09 79.92 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.974 -1.079 . . . . 0.0 112.645 172.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -72.9 -41.85 64.2 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.696 1.198 . . . . 0.0 112.277 -176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.12 -41.27 86.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.741 169.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -58.49 -53.32 59.67 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.819 1.191 . . . . 0.0 112.519 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.96 -35.79 82.3 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.76 -40.07 63.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.314 1.046 . . . . 0.0 112.29 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.6 tp -74.82 -26.98 60.09 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.268 1.027 . . . . 0.0 113.009 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.14 -33.25 73.15 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.343 -0.848 . . . . 0.0 112.817 167.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -61.92 -51.07 69.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.887 1.275 . . . . 0.0 111.919 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.6 p -66.11 -37.05 84.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.03 0.932 . . . . 0.0 113.054 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.57 -40.51 87.56 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.289 -0.882 . . . . 0.0 111.726 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.8 m -62.07 -39.34 92.11 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.434 -0.791 . . . . 0.0 111.842 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -68.15 -36.14 79.2 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.774 -1.204 . . . . 0.0 113.199 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -58.91 -45.59 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.319 0.648 . . . . 0.0 110.516 171.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -65.17 -40.78 94.75 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.867 0.867 . . . . 0.0 112.919 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -57.56 -47.69 81.38 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.823 0.849 . . . . 0.0 112.043 172.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.76 -46.96 87.35 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.682 0.793 . . . . 0.0 112.183 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -67.52 -34.56 77.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.455 0.702 . . . . 0.0 112.638 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.1 92.05 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.073 0.851 . . . . 0.0 112.042 171.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.79 91.32 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.009 0.924 . . . . 0.0 112.702 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.45 -43.09 91.5 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.663 1.185 . . . . 0.0 111.222 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -64.24 -38.66 91.82 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.921 -1.112 . . . . 0.0 112.623 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.02 -32.79 74.48 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.114 0.966 . . . . 0.0 113.598 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.499 HD11 HD11 ' B' ' 158' ' ' LEU . 1.4 pp -87.86 -36.53 17.15 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.53 0.732 . . . . 0.0 112.639 174.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -62.08 -33.98 75.43 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.752 1.615 . . . . 0.0 113.097 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -69.24 -16.99 63.72 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 173.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.1 -38.92 9.56 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.148 1.779 . . . . 0.0 112.9 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -71.87 -16.19 62.13 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.551 1.54 . . . . 0.0 114.729 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -81.81 11.94 4.45 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.071 1.748 . . . . 0.0 115.616 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.227 1.811 . . . . 0.0 113.408 177.853 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.375 0 N-CA-C 111.738 -0.545 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -65.65 -20.85 59.67 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.232 3.288 . . . . 0.0 115.733 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.23 -24.96 4.47 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.447 1.499 . . . . 0.0 114.655 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 30.2 m 52.45 41.24 30.75 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.137 1.775 . . . . 0.0 114.71 169.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -63.2 147.23 51.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.95 1.3 . . . . 0.0 113.825 -172.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -77.94 55.0 1.37 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.779 1.632 . . . . 0.0 112.527 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.45 -24.54 14.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.905 1.282 . . . . 0.0 114.231 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -90.48 1.85 56.27 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.0 156.34 13.53 Favored Pre-proline 0 CA--C 1.557 1.241 0 C-N-CA 125.062 1.345 . . . . 0.0 112.533 168.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -62.06 155.81 53.55 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.206 2.604 . . . . 0.0 112.791 -176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 14.8 tt -57.15 -32.64 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -169.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.53 -34.65 71.22 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.207 1.003 . . . . 0.0 112.859 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -77.93 -47.75 17.91 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.702 0.801 . . . . 0.0 112.324 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.59 -30.28 68.99 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.653 1.115 . . . . 0.0 112.356 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.5 t -64.77 -46.58 81.53 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.958 0.903 . . . . 0.0 111.698 168.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.42 87.09 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.099 -1.001 . . . . 0.0 111.804 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.1 -48.39 73.86 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.16 0.984 . . . . 0.0 112.283 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.1 -33.96 76.97 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.146 1.339 . . . . 0.0 112.261 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -73.49 -35.81 65.7 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.655 -0.653 . . . . 0.0 112.577 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -64.66 -38.65 91.72 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.194 1.398 . . . . 0.0 112.183 172.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.96 -35.54 77.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.729 0.812 . . . . 0.0 112.596 171.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 44.2 mtt -79.52 -7.38 58.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.823 1.249 . . . . 0.0 113.91 174.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.2 9.95 58.85 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.456 1.503 . . . . 0.0 116.041 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -69.6 159.1 34.02 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.266 1.533 . . . . 0.0 112.126 169.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -73.62 -13.65 61.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.44 -161.56 32.37 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.174 0.892 . . . . 0.0 113.718 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -160.55 -167.47 21.11 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.368 1.461 . . . . 0.0 113.727 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -170.02 -164.75 26.27 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.06 1.314 . . . . 0.0 112.645 -176.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 41.4 t -56.77 135.33 55.44 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.019 0.909 . . . . 0.0 113.166 -174.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -76.66 -7.57 85.85 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.303 0.954 . . . . 0.0 115.334 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.49 159.14 7.68 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.102 1.334 . . . . 0.0 115.243 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.98 -24.55 9.69 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 124.318 0.961 . . . . 0.0 115.446 -176.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.4 m -74.36 151.88 39.67 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 118.56 1.18 . . . . 0.0 112.182 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -37.2 75.87 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.498 0.719 . . . . 0.0 112.83 -176.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -66.54 -27.86 68.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.335 1.054 . . . . 0.0 112.932 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -74.5 -49.59 21.53 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.193 -0.942 . . . . 0.0 110.837 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 13.5 tt -67.01 -40.07 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.682 0.793 . . . . 0.0 112.05 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -57.3 -49.81 74.93 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.291 0.95 . . . . 0.0 112.069 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.45 -46.29 80.44 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 38.3 tp -71.62 -38.71 70.76 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.693 -0.629 . . . . 0.0 112.353 -177.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 22.3 tp -73.28 -31.5 64.1 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.608 0.763 . . . . 0.0 112.27 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.63 -35.07 79.3 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.157 -0.965 . . . . 0.0 112.677 169.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -61.77 -47.2 86.24 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.395 0.998 . . . . 0.0 111.811 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 94.3 p -64.88 -40.49 95.19 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.93 -40.9 97.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.121 -0.987 . . . . 0.0 112.005 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 99.2 m -60.93 -39.19 88.51 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.331 -0.855 . . . . 0.0 111.444 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.89 -33.24 74.34 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.154 -0.966 . . . . 0.0 112.965 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.38 -49.92 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 121.0 -1.063 . . . . 0.0 110.55 170.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -55.21 -46.61 75.92 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.4 1.08 . . . . 0.0 111.355 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.63 -47.26 87.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.491 1.516 . . . . 0.0 111.749 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.75 -41.03 72.33 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.511 0.725 . . . . 0.0 112.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -61.9 -41.0 97.38 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.099 0.863 . . . . 0.0 111.896 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.41 83.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.58 0.752 . . . . 0.0 112.404 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.84 -44.69 88.99 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.816 0.846 . . . . 0.0 112.431 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.05 -40.95 91.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.672 1.189 . . . . 0.0 111.466 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -65.88 -48.9 69.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.171 0.588 . . . . 0.0 112.246 174.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.49 89.63 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -176.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . 0.499 HD11 HD11 ' A' ' 58' ' ' LEU . 4.0 pp -68.94 -24.97 64.34 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.84 -39.87 66.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.199 0.909 . . . . 0.0 111.92 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -70.81 -37.03 73.21 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.811 -0.556 . . . . 0.0 112.284 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.04 -20.94 60.49 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.49 -7.12 57.06 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 176.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -133.21 -15.7 2.51 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.943 2.201 . . . . 0.0 116.943 -174.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 125.858 1.663 . . . . 0.0 112.776 172.356 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 CA-C-O 117.971 -1.461 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -60.01 -28.15 86.46 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.868 3.045 . . . . 0.0 115.394 -173.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.46 -3.04 85.89 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 124.865 1.221 . . . . 0.0 115.431 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t 65.24 153.16 0.06 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.988 2.115 . . . . 0.0 114.244 -170.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -82.56 163.33 21.56 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.115 1.366 . . . . 0.0 113.333 -173.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -71.77 158.51 35.98 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.302 1.041 . . . . 0.0 111.203 167.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -140.39 59.87 1.55 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.77 1.228 . . . . 0.0 111.589 -174.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.91 31.89 18.69 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.897 1.679 . . . . 0.0 114.951 -177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.66 145.86 82.06 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.41 1.084 . . . . 0.0 111.777 171.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -73.32 166.77 29.04 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.739 2.959 . . . . 0.0 112.26 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.29 -33.53 37.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -62.0 -31.78 72.19 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.343 1.057 . . . . 0.0 112.901 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -76.27 -53.7 7.84 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.878 0.871 . . . . 0.0 111.949 175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.3 -28.83 69.0 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.149 -0.969 . . . . 0.0 113.139 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -69.33 -29.91 67.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.987 0.915 . . . . 0.0 112.553 172.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.71 -36.76 57.0 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.935 -1.103 . . . . 0.0 112.123 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.29 -48.09 79.57 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.448 1.099 . . . . 0.0 111.75 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.4 -38.34 89.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.382 0.992 . . . . 0.0 111.927 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -73.38 -40.66 64.16 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -69.85 -29.28 66.48 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.867 0.758 . . . . 0.0 112.608 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -67.19 -26.49 66.65 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.902 -1.123 . . . . 0.0 113.231 172.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.2 mtt -88.95 -5.02 58.27 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.159 1.384 . . . . 0.0 113.62 173.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.57 19.31 79.01 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.428 1.013 . . . . 0.0 114.406 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -66.29 138.92 57.98 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.402 1.481 . . . . 0.0 111.199 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.07 -29.45 68.41 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.094 -1.004 . . . . 0.0 112.675 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.15 164.42 42.27 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.178 0.894 . . . . 0.0 113.743 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.63 147.87 11.38 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 124.486 1.041 . . . . 0.0 112.965 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.76 -169.45 45.08 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.071 0.843 . . . . 0.0 114.224 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.4 t 55.35 29.26 12.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.209 1.803 . . . . 0.0 114.668 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.87 173.06 55.36 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.919 1.247 . . . . 0.0 114.548 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.29 -154.81 50.96 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.516 1.055 . . . . 0.0 114.134 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.83 -118.72 5.38 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.648 1.118 . . . . 0.0 112.364 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -65.89 158.54 27.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.33 1.052 . . . . 0.0 113.185 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.1 tpt -65.28 -19.32 65.91 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -77.22 -27.53 53.44 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 168.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -80.77 -39.24 27.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.046 0.938 . . . . 0.0 111.836 -176.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 tt -60.16 -38.88 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.446 1.098 . . . . 0.0 112.133 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -58.63 -50.45 73.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.22 0.918 . . . . 0.0 111.693 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -65.44 -45.4 83.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.396 0.678 . . . . 0.0 112.13 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 tp -73.86 -31.92 63.39 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -76.28 -34.98 59.11 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.167 -0.958 . . . . 0.0 111.781 172.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.66 -32.02 73.06 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 171.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -57.66 -47.6 81.82 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.24 1.816 . . . . 0.0 111.228 173.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -66.77 -43.24 84.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 171.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.88 -37.53 82.48 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.191 0.905 . . . . 0.0 112.375 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -60.97 -40.43 93.35 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.258 -0.901 . . . . 0.0 111.763 174.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -71.96 -34.43 68.98 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.409 -0.807 . . . . 0.0 112.865 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.14 -50.31 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.582 0.753 . . . . 0.0 110.13 170.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -61.62 -41.95 98.2 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.813 0.845 . . . . 0.0 112.44 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -56.97 -50.04 73.88 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.507 1.123 . . . . 0.0 111.645 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.79 -47.84 79.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.637 0.775 . . . . 0.0 112.309 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -63.01 -42.2 99.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.828 0.851 . . . . 0.0 112.433 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.49 93.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.52 0.728 . . . . 0.0 112.332 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.78 82.98 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.63 -43.47 96.72 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.732 0.813 . . . . 0.0 111.541 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -63.92 -39.27 93.79 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.651 0.781 . . . . 0.0 113.048 176.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.81 77.39 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.941 0.896 . . . . 0.0 113.303 -178.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.46 HD11 HD11 ' B' ' 158' ' ' LEU . 3.9 pp -77.9 -35.38 50.77 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.521 0.729 . . . . 0.0 112.867 178.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.49 -43.13 91.12 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.667 1.121 . . . . 0.0 112.599 -173.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.01 -22.78 65.88 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.06 -45.43 12.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.583 1.153 . . . . 0.0 112.616 176.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -86.25 46.73 1.37 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.16 1.784 . . . . 0.0 113.866 -171.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -139.9 20.91 2.48 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 . . . . . 0 C--O 1.255 1.375 0 C-N-CA 124.603 1.161 . . . . 0.0 113.026 170.64 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 CA-C-O 119.533 -0.593 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -60.39 154.82 50.52 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 124.286 3.324 . . . . 0.0 114.14 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -76.93 173.08 54.95 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.649 1.119 . . . . 0.0 114.102 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 58.3 m -68.98 149.22 49.06 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.289 1.036 . . . . 0.0 113.003 175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -72.69 139.6 47.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.005 0.922 . . . . 0.0 113.38 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -81.53 42.27 0.67 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.508 1.523 . . . . 0.0 113.416 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -131.94 -19.14 2.61 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.279 1.432 . . . . 0.0 114.662 -176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.85 -21.45 40.74 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.304 1.042 . . . . 0.0 113.787 177.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 pp -56.85 150.4 38.12 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 125.181 1.392 . . . . 0.0 111.553 162.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.52 155.61 69.4 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 122.778 2.319 . . . . 0.0 112.069 -174.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 tt -59.95 -30.04 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -59.99 -30.08 68.89 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.581 0.752 . . . . 0.0 112.768 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -78.9 -50.99 10.3 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.417 -0.802 . . . . 0.0 112.558 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.7 -33.35 75.67 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.946 1.248 . . . . 0.0 112.644 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t -62.92 -37.45 87.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.529 1.132 . . . . 0.0 112.812 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.3 -38.67 65.79 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.202 -0.937 . . . . 0.0 112.036 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.17 -45.2 92.92 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.297 1.039 . . . . 0.0 112.548 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.11 -37.01 85.5 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.977 1.262 . . . . 0.0 112.002 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -70.45 -37.34 74.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.004 0.922 . . . . 0.0 113.049 174.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -65.66 -39.06 90.95 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.733 1.213 . . . . 0.0 112.445 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.8 -37.32 86.95 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.615 -0.678 . . . . 0.0 112.423 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 40.8 mtt -71.54 -17.07 62.34 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.161 0.984 . . . . 0.0 113.56 172.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.53 20.05 79.78 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.624 1.106 . . . . 0.0 114.162 -172.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -95.39 125.6 40.12 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.603 1.561 . . . . 0.0 112.391 -173.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -83.74 -10.66 57.97 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.694 1.198 . . . . 0.0 113.875 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.76 -169.81 24.12 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.333 1.444 . . . . 0.0 115.436 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.15 -157.73 28.68 Favored Glycine 0 N--CA 1.471 1.013 0 C-N-CA 124.734 1.159 . . . . 0.0 113.375 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -161.46 175.02 38.08 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.174 1.368 . . . . 0.0 112.373 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 33.4 t -65.2 128.31 35.27 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 122.133 -0.628 . . . . 0.0 111.795 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -75.57 142.63 29.25 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.425 1.012 . . . . 0.0 113.32 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 173.69 169.69 36.27 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 123.939 0.78 . . . . 0.0 113.954 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.16 0.6 57.33 Favored Glycine 0 CA--C 1.542 1.728 0 C-N-CA 125.561 1.553 . . . . 0.0 115.204 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 67.8 m -67.6 152.66 45.26 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 118.526 1.163 . . . . 0.0 111.598 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -33.22 70.31 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -69.25 -40.23 77.99 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.932 -1.105 . . . . 0.0 112.501 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -65.65 -42.15 91.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.136 0.974 . . . . 0.0 111.464 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.69 -40.52 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 123.797 0.839 . . . . 0.0 112.12 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.15 -40.62 90.5 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.017 0.826 . . . . 0.0 111.868 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.54 -51.13 69.84 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.872 0.76 . . . . 0.0 112.282 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.65 -42.85 90.92 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.417 0.687 . . . . 0.0 111.778 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.5 tp -73.38 -34.53 65.6 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -176.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.92 -44.57 95.73 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.853 0.861 . . . . 0.0 112.054 169.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -58.94 -46.83 87.04 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.731 1.212 . . . . 0.0 111.723 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 7.8 t -64.31 -44.29 92.05 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.432 0.693 . . . . 0.0 112.745 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.58 -41.92 98.11 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.909 -1.119 . . . . 0.0 112.606 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 67.1 m -58.64 -40.04 82.27 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.501 -0.749 . . . . 0.0 112.178 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -68.89 -31.24 70.03 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.167 -0.958 . . . . 0.0 113.474 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 74.2 mt -60.28 -49.99 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 121.151 -0.968 . . . . 0.0 109.768 172.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -62.99 -40.08 96.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.087 0.955 . . . . 0.0 112.073 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -61.75 -46.66 88.63 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.774 1.23 . . . . 0.0 111.607 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.78 -43.88 82.8 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.649 0.78 . . . . 0.0 112.155 176.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -59.03 -44.58 91.76 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.953 0.797 . . . . 0.0 112.552 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.34 -45.54 93.98 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.616 0.766 . . . . 0.0 112.354 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.32 88.14 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.273 0.629 . . . . 0.0 112.666 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -65.46 -43.83 89.11 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.599 0.76 . . . . 0.0 111.352 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -62.7 -39.84 95.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.066 -1.021 . . . . 0.0 112.371 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.75 73.75 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.605 -0.684 . . . . 0.0 112.543 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . 0.46 HD11 HD11 ' A' ' 58' ' ' LEU . 2.1 pp -70.37 -32.37 70.02 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.709 -0.619 . . . . 0.0 112.405 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.61 -39.52 91.54 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.356 -0.84 . . . . 0.0 111.346 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -68.78 -39.55 80.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.36 1.064 . . . . 0.0 111.842 171.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.14 71.04 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.929 -1.107 . . . . 0.0 113.484 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 9.3 mmt-85 -74.69 -9.21 58.34 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -119.31 -8.06 10.14 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.435 1.494 . . . . 0.0 113.476 -179.13 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.306 0 CA-C-O 119.794 -0.448 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -67.8 156.06 67.45 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.926 3.084 . . . . 0.0 113.12 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.65 145.62 8.08 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.807 1.194 . . . . 0.0 112.957 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.0 m -77.29 -14.42 59.75 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -173.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -142.39 155.92 45.17 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.132 1.373 . . . . 0.0 112.148 -173.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -136.93 11.4 3.1 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.01 -19.38 63.32 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.178 1.391 . . . . 0.0 114.516 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.07 11.06 24.31 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.379 1.472 . . . . 0.0 114.799 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -60.72 150.93 74.17 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 123.649 0.78 . . . . 0.0 110.743 170.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -61.75 146.24 96.77 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.924 2.416 . . . . 0.0 113.135 -170.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.7 tt -64.55 -26.18 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -168.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.24 -26.3 66.32 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.879 1.271 . . . . 0.0 113.245 173.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -83.07 -56.24 3.91 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.148 0.979 . . . . 0.0 112.11 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.69 -33.99 74.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.944 1.247 . . . . 0.0 112.578 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.5 m -73.53 -20.85 60.54 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.16 0.984 . . . . 0.0 113.419 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.56 -37.08 32.08 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.202 0.91 . . . . 0.0 111.658 166.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.68 -41.49 99.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.034 0.834 . . . . 0.0 112.153 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.92 -36.54 84.3 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.798 1.181 . . . . 0.0 112.719 174.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -64.66 -48.67 73.91 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.877 0.871 . . . . 0.0 111.036 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -60.18 -42.38 94.87 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.369 1.468 . . . . 0.0 113.17 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.57 -32.65 74.35 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.142 -0.973 . . . . 0.0 112.654 174.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.0 mtm -85.79 4.43 36.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.194 1.398 . . . . 0.0 113.85 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.71 8.73 87.58 Favored Glycine 0 CA--C 1.541 1.712 0 N-CA-C 115.762 1.065 . . . . 0.0 115.762 176.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -78.6 125.62 29.62 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.085 1.354 . . . . 0.0 110.311 170.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -71.42 -12.64 61.51 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.72 164.55 38.58 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.621 1.105 . . . . 0.0 114.736 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.05 -168.17 19.99 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.165 1.364 . . . . 0.0 112.667 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.46 -118.14 9.68 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -172.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 t 58.87 -150.48 0.44 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.314 1.045 . . . . 0.0 112.065 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.64 33.48 34.26 Favored Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.005 -1.06 . . . . 0.0 115.367 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.49 146.1 49.7 Favored Glycine 0 CA--C 1.535 1.327 0 CA-C-N 118.103 0.951 . . . . 0.0 113.211 176.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.1 -10.88 83.25 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.205 0.907 . . . . 0.0 115.223 -175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -68.68 148.01 51.04 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.682 1.241 . . . . 0.0 112.096 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mmt -55.35 -34.9 64.67 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.575 1.15 . . . . 0.0 113.994 -174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -71.0 -32.54 69.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.784 0.834 . . . . 0.0 113.044 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -76.05 -43.31 44.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.15 0.98 . . . . 0.0 111.429 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 tt -69.6 -40.15 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.276 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.31 -43.11 88.0 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.4 1.0 . . . . 0.0 111.959 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -65.76 -53.49 39.8 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.838 0.745 . . . . 0.0 112.126 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.12 -46.27 88.1 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.502 0.592 . . . . 0.0 111.927 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -74.68 -23.41 58.62 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.922 0.889 . . . . 0.0 113.11 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.03 -39.44 41.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.833 0.742 . . . . 0.0 112.924 167.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -59.74 -46.97 87.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.421 1.088 . . . . 0.0 111.362 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.4 p -63.37 -45.14 92.5 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 174.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.99 -39.55 82.16 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.112 0.965 . . . . 0.0 112.668 176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.0 m -61.13 -38.72 87.4 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.665 0.786 . . . . 0.0 111.922 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.96 -34.38 75.23 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.22 -48.38 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.822 0.737 . . . . 0.0 109.914 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.79 -37.89 89.15 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.257 1.023 . . . . 0.0 113.062 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -60.76 -43.05 98.49 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.667 1.187 . . . . 0.0 112.959 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.6 -43.45 76.44 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.791 0.723 . . . . 0.0 111.912 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.08 -32.29 73.36 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.05 86.14 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.128 0.877 . . . . 0.0 112.685 175.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.72 -43.56 58.84 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.859 0.863 . . . . 0.0 112.449 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -65.56 -43.91 88.38 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.723 0.809 . . . . 0.0 112.315 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.17 -33.17 75.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.154 0.981 . . . . 0.0 112.629 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.86 -47.54 52.22 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.7 0.8 . . . . 0.0 112.68 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.32 -32.59 70.41 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.095 0.861 . . . . 0.0 113.046 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.93 -38.21 90.13 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.714 0.806 . . . . 0.0 112.511 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -88.56 -17.4 30.29 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.93 -43.37 30.12 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.95 0.9 . . . . 0.0 113.045 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -66.68 -15.23 63.35 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -171.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -83.53 -5.57 59.21 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 . . . . . 0 C--O 1.253 1.252 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -171.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.768 -0.533 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -61.43 153.04 68.87 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.801 3.001 . . . . 0.0 114.036 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -81.35 -172.64 46.89 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.6 1.095 . . . . 0.0 113.912 174.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 56.6 m -92.42 140.77 29.24 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.237 1.015 . . . . 0.0 111.009 166.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -137.17 156.32 48.48 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.134 1.374 . . . . 0.0 111.513 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -80.12 58.38 2.97 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.821 1.248 . . . . 0.0 112.472 -174.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.86 -22.74 14.28 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 -170.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.76 -17.6 50.42 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -171.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.28 154.71 30.36 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 125.118 1.367 . . . . 0.0 111.438 160.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.29 150.24 88.67 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.921 2.414 . . . . 0.0 112.668 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 17.6 tt -61.1 -28.18 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.028 0.931 . . . . 0.0 113.492 -173.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.68 -36.47 74.25 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.541 1.136 . . . . 0.0 112.599 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -77.09 -49.54 15.06 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.707 0.803 . . . . 0.0 112.258 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.85 -35.07 79.43 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.594 1.088 . . . . 0.0 112.192 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 7.7 t -70.97 -38.67 72.77 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.29 83.08 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.566 -1.334 . . . . 0.0 112.331 171.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.85 -50.35 69.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.674 0.79 . . . . 0.0 111.461 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.23 -32.7 74.29 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 120.122 1.328 . . . . 0.0 112.871 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -65.49 -46.69 78.75 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.367 -0.833 . . . . 0.0 111.397 173.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -66.41 -32.37 73.71 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.821 0.848 . . . . 0.0 112.887 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -61.49 -42.75 99.27 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.14 0.976 . . . . 0.0 112.65 172.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 64.2 mtm -83.6 -6.7 59.52 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.36 25.12 75.76 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.188 0.899 . . . . 0.0 113.765 -173.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -69.77 100.07 1.46 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.444 1.498 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -71.22 -2.21 15.21 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.271 1.429 . . . . 0.0 114.796 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.0 -33.23 74.16 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-O 119.506 -0.608 . . . . 0.0 113.118 168.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.87 -157.03 17.01 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.784 1.183 . . . . 0.0 114.928 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 66.05 -162.6 42.64 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.746 1.165 . . . . 0.0 115.51 172.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 31.5 t -160.37 154.88 23.72 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.735 1.614 . . . . 0.0 110.335 172.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 171.21 -167.72 40.86 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.515 -0.741 . . . . 0.0 114.339 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 77.86 -174.32 54.86 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 124.749 1.166 . . . . 0.0 114.223 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 172.9 -11.33 0.04 OUTLIER Glycine 0 CA--C 1.537 1.448 0 N-CA-C 116.175 1.23 . . . . 0.0 116.175 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 57.8 m -71.47 160.6 32.43 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.938 1.369 . . . . 0.0 111.525 173.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -37.37 71.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.728 0.811 . . . . 0.0 112.4 -178.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -67.19 -26.43 66.62 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.832 0.853 . . . . 0.0 113.203 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -73.85 -51.49 16.09 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.358 -0.838 . . . . 0.0 110.473 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 11.6 tt -62.81 -38.64 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.042 0.937 . . . . 0.0 112.105 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -56.82 -53.38 58.55 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.665 1.12 . . . . 0.0 111.963 175.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -64.79 -46.49 81.86 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.501 0.72 . . . . 0.0 111.977 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 54.7 tp -67.5 -42.87 82.15 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.754 0.822 . . . . 0.0 112.834 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.6 tp -72.21 -34.51 68.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.503 0.721 . . . . 0.0 112.1 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.46 78.48 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.454 -0.779 . . . . 0.0 113.01 170.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -62.49 -44.92 95.21 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.704 1.202 . . . . 0.0 111.612 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 54.4 p -65.85 -38.88 90.04 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.629 -0.67 . . . . 0.0 112.775 172.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.54 -45.07 88.72 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.162 0.985 . . . . 0.0 112.71 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.6 t -64.86 -29.7 70.66 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.843 -1.161 . . . . 0.0 112.825 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.37 -36.03 80.54 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.041 -1.037 . . . . 0.0 112.821 173.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 90.2 mt -58.76 -47.8 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 O-C-N 121.218 -0.926 . . . . 0.0 109.78 170.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -61.08 -42.25 98.17 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.567 0.747 . . . . 0.0 112.584 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -58.19 -50.16 74.5 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.179 0.9 . . . . 0.0 111.763 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.19 -37.05 66.62 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -61.19 -46.8 88.97 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.717 0.69 . . . . 0.0 111.358 171.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.93 93.83 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.414 0.686 . . . . 0.0 112.492 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.25 83.18 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.401 -0.812 . . . . 0.0 112.583 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -63.3 -42.53 99.05 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.805 0.842 . . . . 0.0 111.116 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -63.28 -48.43 78.18 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.2 -0.938 . . . . 0.0 112.412 174.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.22 95.35 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.276 1.03 . . . . 0.0 112.884 -174.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.49 -39.61 77.55 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.597 0.635 . . . . 0.0 111.554 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -67.79 -38.16 82.99 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.947 -1.095 . . . . 0.0 113.322 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -73.35 -14.59 61.32 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 175.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -92.7 -45.22 8.15 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.91 1.284 . . . . 0.0 112.875 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.65 11.97 6.51 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.301 1.84 . . . . 0.0 114.597 -174.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 31.7 ptt85 -75.89 -3.79 37.26 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.502 1.921 . . . . 0.0 115.177 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 127.191 2.196 . . . . 0.0 112.739 -178.753 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -70.44 160.77 48.37 Favored 'Trans proline' 0 CA--C 1.547 1.155 0 C-N-CA 123.944 3.096 . . . . 0.0 113.124 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.14 155.25 20.08 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.79 1.186 . . . . 0.0 113.239 175.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.8 p -78.2 -33.5 49.98 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.306 1.043 . . . . 0.0 113.053 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 51.04 45.14 28.19 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.498 1.919 . . . . 0.0 113.802 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -81.69 2.99 27.15 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.571 1.548 . . . . 0.0 114.576 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 52.53 17.4 0.78 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 126.638 1.975 . . . . 0.0 115.462 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 50.66 33.9 8.96 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.513 1.925 . . . . 0.0 113.969 -172.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -59.64 149.65 70.26 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 124.657 1.183 . . . . 0.0 113.171 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.81 162.72 41.14 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.46 2.773 . . . . 0.0 113.324 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.6 tt -58.3 -37.17 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -63.42 -29.18 70.51 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.562 0.745 . . . . 0.0 112.671 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -75.31 -54.22 7.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.711 0.805 . . . . 0.0 111.219 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.14 -32.47 74.05 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.031 0.832 . . . . 0.0 112.522 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.9 t -65.1 -32.12 73.66 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.004 1.322 . . . . 0.0 113.232 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.32 -39.03 33.81 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.011 -1.056 . . . . 0.0 112.605 171.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.5 -39.54 88.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.179 0.992 . . . . 0.0 112.132 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.82 -39.36 91.53 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.972 1.26 . . . . 0.0 111.944 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -68.86 -43.21 75.87 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.162 0.985 . . . . 0.0 111.398 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -68.58 -30.63 69.42 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.938 0.895 . . . . 0.0 113.271 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -62.13 -39.58 93.06 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.86 -1.15 . . . . 0.0 111.859 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 mtm -79.9 7.63 8.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.631 1.573 . . . . 0.0 114.17 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 11.42 84.17 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.046 1.178 . . . . 0.0 116.046 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -73.24 162.39 29.43 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 118.871 1.336 . . . . 0.0 112.058 171.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -70.62 -23.99 62.65 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.52 178.63 36.54 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.681 1.134 . . . . 0.0 114.411 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.98 165.58 43.72 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.658 1.123 . . . . 0.0 113.651 173.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.28 10.2 0.07 OUTLIER Glycine 0 CA--C 1.54 1.642 0 N-CA-C 115.383 0.913 . . . . 0.0 115.383 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.9 p -160.06 171.65 18.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.992 1.717 . . . . 0.0 111.468 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.29 172.74 31.5 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.75 1.166 . . . . 0.0 112.761 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.09 164.24 53.75 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-O 121.848 0.693 . . . . 0.0 114.492 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.98 -64.08 0.07 OUTLIER Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.88 1.228 . . . . 0.0 111.992 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -82.92 160.57 22.06 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.974 0.91 . . . . 0.0 111.657 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -36.33 70.57 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.44 1.096 . . . . 0.0 112.682 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -66.9 -30.18 70.27 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.328 -0.857 . . . . 0.0 112.819 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -71.88 -45.92 59.61 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.52 0.728 . . . . 0.0 110.986 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.0 tt -67.21 -37.57 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.602 0.761 . . . . 0.0 111.839 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -56.11 -48.96 75.16 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.188 0.904 . . . . 0.0 111.56 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -65.2 -47.08 78.16 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.985 0.914 . . . . 0.0 112.834 -177.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.74 -47.5 80.8 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.589 0.631 . . . . 0.0 111.816 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.42 -36.73 71.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.164 0.801 . . . . 0.0 113.164 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.72 -38.15 80.02 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.55 -0.719 . . . . 0.0 112.597 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.99 -42.5 99.21 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.969 0.908 . . . . 0.0 111.007 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.4 m -62.5 -44.87 95.32 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 173.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.76 -38.67 82.45 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.367 1.067 . . . . 0.0 112.018 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.6 m -59.95 -39.89 87.13 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.392 -0.818 . . . . 0.0 112.072 176.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.89 -36.14 77.71 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.104 -0.997 . . . . 0.0 113.149 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.2 -50.76 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 O-C-N 121.33 -0.856 . . . . 0.0 109.99 172.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.15 -42.63 95.28 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.996 0.919 . . . . 0.0 112.384 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -57.16 -50.24 73.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.821 1.249 . . . . 0.0 112.38 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.62 -38.04 67.89 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.28 0.632 . . . . 0.0 112.691 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -62.99 -41.35 99.55 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.102 0.864 . . . . 0.0 112.205 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.16 97.45 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.16 95.47 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.544 0.738 . . . . 0.0 112.594 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -62.54 -47.52 83.56 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.098 0.959 . . . . 0.0 111.059 175.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -64.24 -36.0 82.65 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.376 -0.827 . . . . 0.0 113.034 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.42 -42.82 82.58 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.739 1.216 . . . . 0.0 113.304 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.427 HD11 ' CD1' ' B' ' 158' ' ' LEU . 1.2 pp -73.58 -38.63 65.1 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.527 0.603 . . . . 0.0 111.964 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.44 -49.49 77.59 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.587 0.755 . . . . 0.0 112.578 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -68.75 -30.06 68.59 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.6 -24.09 56.52 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.248 1.019 . . . . 0.0 113.117 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -123.43 38.47 4.18 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.995 2.118 . . . . 0.0 111.247 -173.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -83.98 -14.47 50.73 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -174.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 C--O 1.252 1.19 0 C-N-CA 126.329 1.852 . . . . 0.0 113.225 -176.604 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.749 -0.54 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.26 159.36 31.18 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.178 3.252 . . . . 0.0 114.58 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.8 -159.96 21.24 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.514 1.054 . . . . 0.0 113.057 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 45.7 m -72.58 149.49 43.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.1 0.96 . . . . 0.0 112.247 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -138.64 147.19 42.59 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.17 1.388 . . . . 0.0 111.915 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -90.95 15.05 12.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.377 1.471 . . . . 0.0 114.91 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.74 -26.72 65.88 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.54 18.62 8.34 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.208 1.803 . . . . 0.0 114.042 -177.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.28 150.6 31.44 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.954 1.302 . . . . 0.0 114.071 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.49 167.07 28.02 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.713 2.942 . . . . 0.0 112.897 -174.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.5 tt -58.81 -31.92 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -64.12 -34.6 78.43 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.212 -0.93 . . . . 0.0 112.431 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -73.97 -53.26 10.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.875 0.761 . . . . 0.0 111.73 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.77 -31.06 71.46 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.162 -0.961 . . . . 0.0 113.154 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 39.7 t -69.07 -42.8 75.73 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.338 0.655 . . . . 0.0 111.089 171.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.94 89.62 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 120.578 -1.326 . . . . 0.0 111.6 172.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.87 -46.07 86.57 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.846 0.748 . . . . 0.0 112.605 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.01 -34.17 77.14 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.49 1.495 . . . . 0.0 112.376 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -66.1 -37.41 85.71 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.181 0.992 . . . . 0.0 111.602 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -69.05 -31.78 70.8 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.532 1.533 . . . . 0.0 113.081 174.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.98 -34.53 77.95 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.27 1.395 . . . . 0.0 112.318 169.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 51.0 mtt -75.61 -15.36 60.35 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.48 1.112 . . . . 0.0 113.661 172.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 103.07 3.37 48.46 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 126.116 1.817 . . . . 0.0 116.559 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -87.12 152.84 22.0 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.14 1.376 . . . . 0.0 111.644 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -68.18 -33.61 74.76 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.538 -1.351 . . . . 0.0 114.561 -168.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 168.7 -172.85 43.26 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.647 1.118 . . . . 0.0 113.749 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 169.31 -150.74 15.96 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.199 0.904 . . . . 0.0 113.944 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -168.99 -150.4 6.68 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 125.679 1.609 . . . . 0.0 111.917 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 41.7 p -76.56 163.2 27.13 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 117.892 0.846 . . . . 0.0 111.373 164.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -90.99 15.98 59.64 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.799 1.666 . . . . 0.0 113.54 166.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 115.75 -2.3 21.52 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 125.499 1.523 . . . . 0.0 115.097 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.08 19.33 70.03 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 118.905 1.352 . . . . 0.0 115.522 172.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 37.7 t -61.44 158.04 15.61 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.486 1.143 . . . . 0.0 112.464 169.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.9 tpt -64.64 -28.16 69.42 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -75.33 -38.04 60.42 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.503 -0.748 . . . . 0.0 112.163 169.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -61.49 -46.52 89.66 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.26 1.024 . . . . 0.0 111.583 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.8 tt -62.82 -41.04 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 O-C-N 121.643 -0.66 . . . . 0.0 112.725 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -60.48 -48.68 80.71 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.343 0.974 . . . . 0.0 110.957 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.15 -45.8 86.9 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.263 0.625 . . . . 0.0 112.165 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 46.9 tp -68.06 -40.77 82.72 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.809 0.844 . . . . 0.0 112.709 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.7 tp -77.98 -26.01 48.45 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.449 1.1 . . . . 0.0 112.329 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.95 79.5 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.518 -0.739 . . . . 0.0 112.224 168.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -57.5 -46.59 83.58 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.314 -0.866 . . . . 0.0 112.618 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 51.3 p -65.24 -38.1 89.31 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.49 -44.27 91.5 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.956 0.902 . . . . 0.0 112.204 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 74.3 m -59.93 -41.44 91.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.831 0.852 . . . . 0.0 111.79 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -66.31 -33.68 76.28 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.116 -0.99 . . . . 0.0 113.223 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 71.7 mt -57.9 -49.29 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.469 0.708 . . . . 0.0 110.033 170.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -65.91 -40.38 91.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.692 1.197 . . . . 0.0 112.347 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 34.9 mtp-105 -58.91 -47.59 84.45 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.429 1.092 . . . . 0.0 112.326 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.38 -36.08 73.91 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.53 -42.21 95.9 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.699 0.681 . . . . 0.0 112.42 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.3 99.23 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 174.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.6 85.08 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.748 0.819 . . . . 0.0 112.246 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -61.24 -40.53 94.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.703 1.201 . . . . 0.0 111.44 177.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -44.02 90.86 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.083 174.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.51 91.11 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.815 0.846 . . . . 0.0 113.162 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . 0.427 ' CD1' HD11 ' A' ' 58' ' ' LEU . 4.3 pp -71.53 -23.05 61.7 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 178.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.5 -41.77 79.53 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.598 -0.689 . . . . 0.0 112.158 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -65.72 -35.36 80.51 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.199 -0.938 . . . . 0.0 112.363 173.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.74 76.15 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.082 0.953 . . . . 0.0 113.222 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 67.8 mtt85 -77.91 -5.34 50.74 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -105.91 10.35 32.44 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 169.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 . . . . . 0 C--O 1.255 1.345 0 C-N-CA 128.132 2.573 . . . . 0.0 114.866 176.406 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.415 0 CA-C-O 119.43 -0.65 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.29 141.36 51.53 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.616 2.878 . . . . 0.0 112.493 -177.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.37 -33.09 0.44 Allowed Glycine 0 CA--C 1.534 1.264 0 C-N-CA 126.767 2.127 . . . . 0.0 117.25 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.3 t 52.98 44.19 30.75 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.337 1.455 . . . . 0.0 112.667 -174.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -60.03 152.93 22.74 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.533 1.533 . . . . 0.0 114.174 -170.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -79.43 30.27 0.23 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.442 1.897 . . . . 0.0 113.918 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.96 104.59 5.61 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.601 1.56 . . . . 0.0 112.8 -171.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 51.61 36.54 17.53 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.813 2.045 . . . . 0.0 114.596 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.25 152.32 79.23 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.805 1.242 . . . . 0.0 112.536 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.02 164.57 29.47 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.239 2.626 . . . . 0.0 112.933 -175.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 tt -56.32 -35.11 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.654 1.182 . . . . 0.0 113.842 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -64.42 -26.35 68.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.764 0.826 . . . . 0.0 113.203 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -81.16 -55.99 4.38 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.452 -0.78 . . . . 0.0 112.234 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.66 -32.16 73.56 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.901 -1.124 . . . . 0.0 113.284 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -74.25 -23.86 59.21 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.55 -39.4 46.04 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.693 0.679 . . . . 0.0 111.923 167.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -59.68 -41.45 90.7 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.663 0.785 . . . . 0.0 112.387 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.43 -34.78 78.72 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.22 0.918 . . . . 0.0 112.544 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -69.7 -42.69 73.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.583 0.629 . . . . 0.0 111.487 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -59.59 -38.48 81.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.974 1.31 . . . . 0.0 112.442 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -66.64 -28.53 68.55 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 172.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.5 mtm -92.94 -2.8 55.47 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.168 1.387 . . . . 0.0 114.719 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.9 17.49 76.96 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 114.659 -172.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -95.61 17.6 14.53 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 128.131 2.573 . . . . 0.0 112.773 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -62.99 -7.2 4.82 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 -165.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.72 -16.86 80.38 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.223 0.916 . . . . 0.0 114.307 169.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.2 151.03 39.74 Favored Glycine 0 CA--C 1.543 1.813 0 CA-C-N 118.329 1.065 . . . . 0.0 114.269 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.11 166.55 54.86 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.835 1.207 . . . . 0.0 114.106 177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.6 p -68.02 -31.83 71.79 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.98 -144.27 48.97 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 123.864 0.745 . . . . 0.0 114.09 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.72 10.99 80.65 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.765 1.174 . . . . 0.0 115.885 174.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.05 -9.16 87.35 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 124.929 1.252 . . . . 0.0 114.994 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.5 t -152.82 162.46 41.26 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.336 1.855 . . . . 0.0 111.055 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -35.66 65.57 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.968 1.307 . . . . 0.0 112.73 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -68.92 -27.84 66.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.09 0.956 . . . . 0.0 113.197 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -75.91 -48.0 23.06 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.475 -0.765 . . . . 0.0 110.98 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -66.62 -35.43 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.486 -0.759 . . . . 0.0 112.029 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -61.28 -25.83 67.36 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.696 1.135 . . . . 0.0 113.288 174.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -85.24 -50.33 7.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.884 0.874 . . . . 0.0 111.792 170.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 tp -66.96 -45.32 78.1 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.538 1.135 . . . . 0.0 113.241 -171.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.9 tp -72.85 -23.46 60.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.895 1.278 . . . . 0.0 112.765 177.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.63 -30.48 56.91 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.739 0.816 . . . . 0.0 112.637 169.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -69.09 -41.0 78.08 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.165 -0.959 . . . . 0.0 112.913 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 p -65.28 -39.29 92.38 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.108 0.563 . . . . 0.0 111.999 172.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.17 -41.89 93.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.785 1.234 . . . . 0.0 112.191 171.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.7 m -60.74 -41.3 95.11 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.391 0.676 . . . . 0.0 111.9 174.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -66.45 -36.52 82.98 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.494 -0.754 . . . . 0.0 112.459 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -59.69 -52.58 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.446 1.021 . . . . 0.0 110.472 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -56.74 -43.77 81.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.517 0.727 . . . . 0.0 112.477 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 46.1 ttm180 -58.13 -52.39 65.74 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.217 1.407 . . . . 0.0 112.111 176.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.43 -34.34 65.4 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 118.646 -0.692 . . . . 0.0 112.791 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.67 -44.51 96.82 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.432 1.015 . . . . 0.0 111.808 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.83 91.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.669 0.788 . . . . 0.0 112.342 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.98 86.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.68 0.792 . . . . 0.0 112.126 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -59.39 -47.25 86.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.435 1.494 . . . . 0.0 111.584 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -62.06 -41.81 98.54 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.595 0.758 . . . . 0.0 112.556 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -47.77 76.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.291 0.636 . . . . 0.0 112.376 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.51 -27.91 64.55 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.97 -46.72 83.36 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.263 -0.898 . . . . 0.0 111.765 171.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -66.53 -36.4 82.59 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.473 0.709 . . . . 0.0 112.476 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.12 -34.67 78.11 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -85.41 -9.35 57.66 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -76.23 53.06 0.79 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.05 2.14 . . . . 0.0 114.701 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 . . . . . 0 C--O 1.25 1.125 0 C-N-CA 125.166 1.386 . . . . 0.0 113.087 174.283 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.505 0 CA-C-O 119.788 -0.451 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -73.26 -19.88 21.92 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.004 3.136 . . . . 0.0 114.14 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 69.79 -157.18 53.52 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.362 0.982 . . . . 0.0 113.578 -173.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.5 t -67.84 154.82 40.72 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.188 0.995 . . . . 0.0 112.617 176.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -63.47 158.14 21.6 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.685 1.194 . . . . 0.0 113.795 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -131.8 149.75 52.37 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.038 2.135 . . . . 0.0 110.316 168.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . 59.83 -33.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 128.375 2.67 . . . . 0.0 116.914 -172.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.14 -16.48 60.53 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.901 1.68 . . . . 0.0 113.872 175.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' B' ' 109' ' ' LEU . 2.8 pp -56.2 152.47 22.49 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 125.602 1.561 . . . . 0.0 112.182 164.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -62.44 153.74 68.94 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 122.854 2.37 . . . . 0.0 112.393 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.6 tt -66.61 -25.26 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -171.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -65.51 -28.11 68.95 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.604 -0.685 . . . . 0.0 112.161 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -73.88 -48.36 31.49 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.666 -1.271 . . . . 0.0 112.589 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.47 -34.15 76.59 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.908 -1.12 . . . . 0.0 112.307 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.0 t -63.13 -41.9 99.4 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.804 0.842 . . . . 0.0 112.458 169.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.81 72.36 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.86 -1.15 . . . . 0.0 112.824 174.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.2 -46.52 77.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.039 0.836 . . . . 0.0 111.931 173.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.66 -32.65 72.64 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.298 1.408 . . . . 0.0 112.898 175.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -61.63 -46.66 88.85 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.189 0.904 . . . . 0.0 111.25 170.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -65.24 -41.92 93.88 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.262 1.425 . . . . 0.0 113.088 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -67.23 -34.04 76.63 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.189 -0.945 . . . . 0.0 113.022 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 77.4 mtm -78.69 -12.65 60.03 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 171.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 64.59 28.72 73.61 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.723 1.154 . . . . 0.0 113.381 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -79.14 132.14 36.46 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.42 1.488 . . . . 0.0 113.995 -168.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -94.47 -11.31 29.97 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.259 1.424 . . . . 0.0 113.476 170.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.91 -15.88 79.56 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.272 1.415 . . . . 0.0 116.038 -171.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.83 -142.74 32.52 Favored Glycine 0 CA--C 1.537 1.434 0 CA-C-N 118.955 1.377 . . . . 0.0 114.406 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.39 155.91 32.31 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.373 1.463 . . . . 0.0 113.356 -172.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 31.5 t -156.92 159.48 38.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.94 1.296 . . . . 0.0 111.275 -177.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.96 70.56 1.77 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.879 1.704 . . . . 0.0 114.202 -174.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -69.92 -9.65 63.31 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 124.697 1.142 . . . . 0.0 115.854 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.73 -8.05 80.6 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.359 1.457 . . . . 0.0 116.168 170.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.7 m -76.27 152.35 36.51 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.397 1.598 . . . . 0.0 111.138 168.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 11.1 mmt -57.67 -33.1 67.98 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -68.2 -25.75 65.39 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.178 -0.951 . . . . 0.0 113.354 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -75.38 -49.71 18.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.501 1.046 . . . . 0.0 110.893 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.63 -41.65 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.658 1.183 . . . . 0.0 111.716 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -59.11 -46.59 87.93 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.325 0.966 . . . . 0.0 111.83 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -66.04 -51.44 58.23 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.714 0.688 . . . . 0.0 112.853 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.91 -42.07 98.65 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.487 -0.758 . . . . 0.0 112.53 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.97 -30.63 62.6 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.272 0.629 . . . . 0.0 112.523 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.85 77.12 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 170.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -60.34 -51.01 71.36 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.441 1.018 . . . . 0.0 111.791 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 66.9 p -64.31 -39.5 94.04 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 176.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.9 -39.62 95.06 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.697 -1.252 . . . . 0.0 112.078 173.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 84.1 m -61.52 -38.0 85.77 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.303 -0.873 . . . . 0.0 111.388 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -69.14 -33.84 74.06 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.142 -0.974 . . . . 0.0 112.931 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.9 -49.6 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 120.963 -1.086 . . . . 0.0 109.681 171.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -54.76 -47.06 74.36 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.853 0.861 . . . . 0.0 111.435 174.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -60.75 -49.69 76.48 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.167 1.387 . . . . 0.0 112.246 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.83 -44.3 81.46 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.35 0.66 . . . . 0.0 112.748 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -66.73 -39.5 88.0 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.855 0.752 . . . . 0.0 111.907 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.35 83.22 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.218 0.607 . . . . 0.0 112.463 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.4 92.8 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.628 0.771 . . . . 0.0 112.39 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -57.77 -50.38 73.45 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.935 1.294 . . . . 0.0 111.073 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -62.01 -41.45 98.09 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.596 0.758 . . . . 0.0 112.67 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.08 -47.57 64.91 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.623 0.769 . . . . 0.0 112.949 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.14 -26.94 63.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.303 -0.873 . . . . 0.0 113.292 -175.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.31 -35.31 75.31 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.621 0.769 . . . . 0.0 112.165 170.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -86.09 -32.96 21.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.575 1.15 . . . . 0.0 112.896 176.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.66 78.36 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.217 1.007 . . . . 0.0 112.707 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -88.84 12.96 13.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.69 1.596 . . . . 0.0 114.337 -177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 -76.98 -12.25 59.91 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.551 1.94 . . . . 0.0 114.286 -177.705 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 CA-C-O 119.675 -0.514 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -69.62 158.31 57.57 Favored 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 124.097 3.198 . . . . 0.0 113.437 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.74 -163.69 54.82 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.728 1.156 . . . . 0.0 114.719 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.9 p -150.95 158.71 44.48 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.642 1.577 . . . . 0.0 112.084 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -132.52 -1.39 3.5 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -94.06 39.17 1.08 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.745 1.618 . . . . 0.0 112.861 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -117.18 119.13 34.27 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.009 1.723 . . . . 0.0 111.061 -175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.62 25.39 8.02 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.231 1.813 . . . . 0.0 115.548 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.82 156.29 66.57 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 124.715 1.206 . . . . 0.0 111.794 168.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.95 163.99 33.52 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.286 2.657 . . . . 0.0 113.589 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.3 tt -59.72 -31.87 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -173.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -62.3 -27.38 68.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.965 0.906 . . . . 0.0 113.049 175.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -85.37 -52.75 5.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.46 0.704 . . . . 0.0 112.036 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.93 -32.01 73.4 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.524 1.056 . . . . 0.0 113.198 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -67.24 -29.43 69.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.524 0.73 . . . . 0.0 112.875 173.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.71 -33.5 31.09 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.358 -0.839 . . . . 0.0 112.808 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.03 -44.99 95.53 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.275 -0.891 . . . . 0.0 111.65 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.88 -37.2 85.96 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.623 1.101 . . . . 0.0 112.191 178.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -66.7 -44.85 80.58 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.605 0.762 . . . . 0.0 111.51 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.05 -33.47 74.63 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -67.5 -28.23 67.67 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.223 1.009 . . . . 0.0 112.802 172.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.0 mtt -82.3 -9.01 59.64 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.14 1.376 . . . . 0.0 113.354 170.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.78 15.12 71.23 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.923 1.249 . . . . 0.0 115.923 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -71.25 134.55 46.92 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 118.693 1.247 . . . . 0.0 111.273 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -70.74 -24.37 62.61 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.167 0.987 . . . . 0.0 112.978 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.66 141.6 28.74 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.318 0.961 . . . . 0.0 113.272 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.45 8.47 7.85 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.845 1.688 . . . . 0.0 114.303 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.27 164.12 53.9 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-N 118.382 1.091 . . . . 0.0 114.273 -177.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t -143.65 161.11 39.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.93 1.692 . . . . 0.0 111.933 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.5 174.8 52.07 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.344 0.974 . . . . 0.0 115.055 -176.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.4 -11.8 83.79 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.944 1.259 . . . . 0.0 114.763 174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.48 17.04 11.78 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.343 1.449 . . . . 0.0 114.779 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.0 t -68.88 159.2 33.01 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.716 1.258 . . . . 0.0 111.987 172.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.9 tpt -61.96 -26.66 68.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.766 0.826 . . . . 0.0 112.507 174.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -71.23 -31.57 67.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.082 0.953 . . . . 0.0 113.018 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -71.72 -47.33 54.58 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.73 0.812 . . . . 0.0 111.186 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.3 tt -63.58 -38.93 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.37 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -58.44 -49.08 78.59 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.822 1.192 . . . . 0.0 111.545 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -63.57 -49.67 72.48 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.931 0.787 . . . . 0.0 112.502 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.02 -46.84 82.66 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.716 0.689 . . . . 0.0 112.019 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.46 -33.29 62.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 122.933 0.493 . . . . 0.0 112.305 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.38 -42.42 83.41 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.971 0.805 . . . . 0.0 112.414 170.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -64.58 -41.48 96.24 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.383 1.073 . . . . 0.0 111.544 178.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 t -62.45 -46.61 87.73 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.257 1.023 . . . . 0.0 112.897 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.81 -38.72 89.18 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.166 -0.959 . . . . 0.0 112.78 175.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.7 m -59.91 -41.75 92.39 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.106 -0.996 . . . . 0.0 112.061 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.66 -32.74 73.63 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.321 -0.862 . . . . 0.0 113.009 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -56.68 -49.26 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 121.378 -0.826 . . . . 0.0 109.788 171.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.19 -36.88 84.23 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.027 0.931 . . . . 0.0 113.036 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -61.86 -45.48 93.6 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.193 0.906 . . . . 0.0 112.404 173.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.54 -40.16 80.81 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.436 0.695 . . . . 0.0 112.073 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -65.52 -39.71 92.14 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 118.869 0.759 . . . . 0.0 112.053 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.29 96.89 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.477 0.711 . . . . 0.0 112.142 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.7 91.68 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -61.79 -45.1 95.31 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.372 1.069 . . . . 0.0 111.459 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -64.54 -43.8 92.83 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.506 -0.746 . . . . 0.0 112.285 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.85 -42.54 99.79 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.462 1.105 . . . . 0.0 113.106 -177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.421 HD11 HD11 ' B' ' 158' ' ' LEU . 1.7 pp -71.47 -39.53 70.86 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.378 -0.826 . . . . 0.0 111.376 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.25 -44.86 90.49 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.274 -0.891 . . . . 0.0 112.013 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -11.91 60.2 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.0 -29.05 18.7 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.431 1.092 . . . . 0.0 113.367 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.93 -10.58 52.95 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -174.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.73 13.28 3.27 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -173.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 124.651 1.18 . . . . 0.0 114.09 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 CA-C-O 119.624 -0.542 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.54 152.47 68.0 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 123.998 3.132 . . . . 0.0 114.558 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 170.39 -161.77 34.83 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.466 1.032 . . . . 0.0 113.239 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 86.9 p -149.7 160.76 43.26 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.084 1.353 . . . . 0.0 112.103 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -76.47 -5.76 48.85 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 -175.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -77.3 4.02 11.67 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.07 -27.29 66.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.712 1.605 . . . . 0.0 113.911 171.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.28 21.03 2.98 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.639 1.575 . . . . 0.0 114.36 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.77 149.13 33.36 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 124.453 1.101 . . . . 0.0 112.756 177.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.98 170.4 19.85 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.404 2.736 . . . . 0.0 114.044 -168.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 4.9 tp -55.61 -37.39 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.278 1.431 . . . . 0.0 113.225 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -66.59 -39.34 88.37 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.922 0.889 . . . . 0.0 112.158 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -71.95 -48.84 42.29 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.985 0.914 . . . . 0.0 112.067 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.76 -33.08 74.85 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.802 1.183 . . . . 0.0 112.734 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.9 t -61.67 -48.62 79.97 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.959 0.903 . . . . 0.0 111.755 168.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.44 -35.94 80.86 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.55 -1.344 . . . . 0.0 113.021 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.7 -51.85 56.09 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.528 1.131 . . . . 0.0 112.042 175.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.75 -33.52 76.16 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.419 1.463 . . . . 0.0 112.465 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -62.24 -54.5 39.96 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.928 0.891 . . . . 0.0 111.588 174.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.91 -26.14 63.08 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -61.94 -42.43 99.09 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.17 -0.956 . . . . 0.0 111.948 169.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 73.0 mtm -76.04 -6.21 50.01 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.713 1.205 . . . . 0.0 114.169 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 85.26 10.79 77.06 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.96 1.267 . . . . 0.0 114.947 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -72.16 144.91 48.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.99 1.395 . . . . 0.0 111.03 172.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -78.63 57.45 2.03 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.268 1.427 . . . . 0.0 112.694 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 65.86 -149.73 51.61 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.696 1.141 . . . . 0.0 113.634 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -177.56 173.6 46.25 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.651 1.12 . . . . 0.0 113.869 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -72.73 148.25 41.41 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.584 1.088 . . . . 0.0 113.245 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 79.3 p -79.7 -13.05 59.74 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.012 1.325 . . . . 0.0 113.803 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.63 -167.19 28.78 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.001 1.286 . . . . 0.0 114.601 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.67 -176.67 53.47 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 124.539 1.066 . . . . 0.0 114.601 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.12 4.55 0.49 Allowed Glycine 0 CA--C 1.542 1.733 0 C-N-CA 125.939 1.733 . . . . 0.0 115.175 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 58.9 m -73.47 166.45 23.2 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.972 1.386 . . . . 0.0 112.096 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -37.08 68.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.23 1.012 . . . . 0.0 113.0 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -64.36 -28.29 69.6 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -79.76 -45.2 19.29 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.145 -0.972 . . . . 0.0 110.924 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.16 -38.94 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.613 0.765 . . . . 0.0 111.985 172.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -58.9 -49.77 76.54 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.488 1.04 . . . . 0.0 111.667 172.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -61.71 -48.63 79.87 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.321 0.964 . . . . 0.0 112.964 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.01 -53.05 62.75 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.793 0.837 . . . . 0.0 112.477 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.38 -35.15 65.88 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.56 74.77 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.614 0.643 . . . . 0.0 112.61 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.9 -44.01 81.89 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.177 0.899 . . . . 0.0 111.556 174.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 22.2 t -58.95 -43.35 91.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.891 0.477 . . . . 0.0 112.273 173.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.17 -42.39 99.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.304 1.041 . . . . 0.0 112.295 172.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 70.8 m -60.17 -39.54 86.8 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.855 -1.153 . . . . 0.0 111.798 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -65.64 -32.97 74.83 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.441 1.019 . . . . 0.0 112.686 177.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.78 -50.02 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.694 1.134 . . . . 0.0 109.493 169.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.33 -42.33 95.4 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.948 0.899 . . . . 0.0 112.229 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -59.0 -46.81 87.25 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.258 0.936 . . . . 0.0 112.187 175.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.87 -35.31 62.31 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -62.33 -40.83 97.67 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.002 0.819 . . . . 0.0 111.689 170.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.69 85.45 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 173.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.87 89.99 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.412 -0.805 . . . . 0.0 112.137 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -63.24 -41.85 99.12 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.827 0.851 . . . . 0.0 111.426 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.04 -44.99 94.34 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.292 -0.88 . . . . 0.0 112.405 172.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -63.44 -36.04 82.42 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . 0.421 HD11 HD11 ' A' ' 58' ' ' LEU . 3.9 pp -78.67 -32.78 47.26 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 172.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.25 -40.23 95.51 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.86 -1.15 . . . . 0.0 112.023 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.82 -3.69 39.71 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -103.92 -40.81 6.08 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.26 1.424 . . . . 0.0 113.777 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -69.81 -12.34 61.55 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -71.03 -11.66 61.09 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.629 1.572 . . . . 0.0 113.103 179.571 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 CA-C-O 119.23 -0.761 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -60.0 163.18 14.57 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 124.487 3.458 . . . . 0.0 114.325 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.77 -173.89 21.96 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.581 1.086 . . . . 0.0 114.117 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.2 t -70.63 165.11 23.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.74 1.216 . . . . 0.0 113.507 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -123.91 167.54 13.98 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.767 2.027 . . . . 0.0 112.232 -175.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.82 36.69 0.17 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.607 1.563 . . . . 0.0 113.745 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.86 115.77 16.94 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.131 1.772 . . . . 0.0 111.844 -175.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.37 23.64 9.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.273 2.229 . . . . 0.0 116.114 169.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.04 155.44 87.14 Favored Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.516 1.126 . . . . 0.0 112.393 171.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -66.25 160.24 46.04 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.227 2.618 . . . . 0.0 113.932 -170.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.6 tp -59.54 -37.25 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.155 0.982 . . . . 0.0 113.061 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -69.57 -29.59 67.19 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -72.39 -52.41 16.15 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.91 0.884 . . . . 0.0 111.272 177.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.89 -30.87 71.54 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.282 -0.887 . . . . 0.0 112.857 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -66.95 -33.06 74.75 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.321 1.048 . . . . 0.0 112.674 170.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.96 -33.34 61.9 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.078 -1.638 . . . . 0.0 112.942 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.15 -46.23 78.19 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.077 0.951 . . . . 0.0 111.452 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.33 -33.06 74.98 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.734 1.152 . . . . 0.0 112.54 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -66.04 -50.26 64.82 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.068 0.849 . . . . 0.0 112.48 173.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -72.87 -27.19 61.77 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -66.34 -34.44 77.98 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.084 -1.01 . . . . 0.0 111.927 167.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.2 mtm -80.62 3.64 21.24 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.313 1.445 . . . . 0.0 113.801 169.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.19 7.63 88.34 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.801 1.667 . . . . 0.0 115.902 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -80.72 148.19 30.25 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.178 1.489 . . . . 0.0 112.873 177.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -85.65 -6.99 59.08 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.55 176.42 52.38 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.815 1.197 . . . . 0.0 114.297 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.3 168.05 41.08 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.659 1.123 . . . . 0.0 113.325 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.85 -155.32 53.51 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 123.85 0.738 . . . . 0.0 114.663 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.1 m 54.59 47.94 21.5 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.088 1.355 . . . . 0.0 113.262 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.62 152.73 11.57 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.622 1.106 . . . . 0.0 113.749 174.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.15 110.82 3.68 Favored Glycine 0 CA--C 1.539 1.55 0 O-C-N 121.963 -0.727 . . . . 0.0 114.702 -166.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.58 -10.38 44.2 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.489 1.518 . . . . 0.0 115.18 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -151.17 165.12 34.87 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.103 1.761 . . . . 0.0 111.057 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.8 mmt -54.73 -39.7 68.51 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -172.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -64.27 -28.37 69.68 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -82.22 -45.05 15.57 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.488 1.115 . . . . 0.0 111.34 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.66 -40.43 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.584 0.753 . . . . 0.0 111.668 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.37 -50.74 72.79 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.899 0.772 . . . . 0.0 111.679 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -69.28 -39.19 78.51 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.36 -46.62 87.85 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.197 0.908 . . . . 0.0 111.841 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 tp -74.48 -30.69 61.93 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.309 0.644 . . . . 0.0 112.719 -176.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.66 83.2 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.424 -0.798 . . . . 0.0 112.606 170.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -63.83 -45.48 89.39 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.765 0.826 . . . . 0.0 112.247 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.1 p -66.06 -39.53 90.16 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.73 -41.9 98.25 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.936 -1.102 . . . . 0.0 111.991 172.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.3 m -59.83 -41.55 91.6 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.547 -0.721 . . . . 0.0 111.597 176.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -64.35 -35.3 80.42 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.278 -0.889 . . . . 0.0 113.082 177.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.51 -49.65 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.428 1.013 . . . . 0.0 109.571 172.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -59.37 -43.59 92.84 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.44 0.696 . . . . 0.0 112.315 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -60.75 -47.57 85.68 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.245 1.018 . . . . 0.0 112.704 175.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.28 -45.62 83.73 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.26 -42.14 99.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.762 0.825 . . . . 0.0 111.59 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.82 90.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.567 0.747 . . . . 0.0 112.362 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.38 92.48 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.536 -0.727 . . . . 0.0 112.657 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -61.2 -45.56 94.08 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.732 1.213 . . . . 0.0 111.12 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -63.38 -43.92 96.22 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.425 0.69 . . . . 0.0 112.323 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.85 91.52 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 pp -75.82 -37.97 58.58 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.635 0.652 . . . . 0.0 112.044 176.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -64.19 -35.21 80.06 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.507 -0.746 . . . . 0.0 112.874 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -77.48 -27.01 51.85 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 174.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.7 -40.18 56.19 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.302 -0.874 . . . . 0.0 112.457 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -89.22 19.3 4.41 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.89 1.676 . . . . 0.0 113.865 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -91.21 -10.84 40.19 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 116.901 2.185 . . . . 0.0 116.901 -168.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 C--O 1.255 1.353 0 C-N-CA 125.257 1.423 . . . . 0.0 113.041 177.469 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.421 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -56.03 139.19 84.62 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 123.235 2.623 . . . . 0.0 112.567 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.31 7.73 82.75 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.893 1.117 . . . . 0.0 115.893 -176.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 90.4 p -144.64 -45.05 0.24 Allowed 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 119.468 1.634 . . . . 0.0 113.197 176.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 58.74 -177.76 0.08 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.174 2.189 . . . . 0.0 115.207 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -79.47 10.15 4.13 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.743 1.217 . . . . 0.0 114.228 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.65 -19.37 38.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.71 2.004 . . . . 0.0 115.619 -177.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.65 7.08 31.58 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.73 155.36 70.65 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 123.684 0.794 . . . . 0.0 110.509 166.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -61.6 148.79 92.18 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.887 2.392 . . . . 0.0 113.957 -169.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.9 tt -60.33 -35.73 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -168.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.75 -33.05 74.34 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.95 -57.42 5.04 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.733 0.813 . . . . 0.0 110.984 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.27 -29.52 70.83 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.33 0.968 . . . . 0.0 113.191 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 33.6 t -73.83 -35.2 64.8 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.915 0.886 . . . . 0.0 112.673 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.01 -31.54 58.97 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.073 -1.017 . . . . 0.0 112.616 172.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mp -62.7 -46.94 85.8 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.242 -0.911 . . . . 0.0 111.794 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -64.81 -35.8 82.27 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.388 0.994 . . . . 0.0 112.454 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -68.09 -41.18 82.24 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.762 0.825 . . . . 0.0 111.875 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -68.41 -32.96 73.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.835 0.854 . . . . 0.0 113.236 173.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -67.05 -25.67 66.37 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.637 -1.289 . . . . 0.0 113.102 170.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 36.3 mtt -87.09 -0.51 56.78 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.919 1.688 . . . . 0.0 112.972 169.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 84.85 10.38 79.06 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.467 1.508 . . . . 0.0 116.118 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -82.0 101.34 10.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.201 1.5 . . . . 0.0 111.505 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.12 -11.4 60.86 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.96 2.09 81.96 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 125.076 1.322 . . . . 0.0 115.115 174.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -60.64 134.39 49.74 Favored Glycine 0 CA--C 1.543 1.838 0 CA-C-N 118.652 1.226 . . . . 0.0 114.27 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 169.96 165.75 27.83 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.858 1.694 . . . . 0.0 112.346 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 8.4 t 57.12 -168.9 0.11 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.108 1.363 . . . . 0.0 113.336 -174.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -161.26 169.8 36.9 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.043 1.306 . . . . 0.0 114.205 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -74.34 162.91 54.34 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.038 1.304 . . . . 0.0 114.928 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -143.08 10.53 2.29 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.078 1.323 . . . . 0.0 115.622 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 21.3 t -154.62 166.5 33.17 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.364 1.465 . . . . 0.0 111.218 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -39.72 78.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.006 1.322 . . . . 0.0 113.179 -174.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -68.06 -27.63 66.68 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.418 -0.801 . . . . 0.0 112.63 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -72.46 -51.69 19.08 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.294 -0.879 . . . . 0.0 110.953 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 7.6 tt -63.97 -38.03 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.078 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -57.89 -45.11 86.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.184 1.357 . . . . 0.0 112.476 175.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -68.86 -47.02 66.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.493 0.588 . . . . 0.0 111.865 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 61.6 tp -67.18 -41.39 85.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.535 1.134 . . . . 0.0 113.32 -174.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.8 tp -79.25 -22.83 44.23 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.599 1.16 . . . . 0.0 112.732 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.88 -32.6 61.91 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.237 -0.914 . . . . 0.0 113.169 168.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -62.72 -42.48 99.67 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.894 1.278 . . . . 0.0 112.753 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 65.8 p -65.96 -45.47 81.62 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.183 0.593 . . . . 0.0 111.968 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.03 -38.31 82.37 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.803 1.241 . . . . 0.0 112.517 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.4 m -60.24 -40.65 91.0 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.97 0.908 . . . . 0.0 111.776 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -73.28 -33.38 65.19 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.045 -1.034 . . . . 0.0 112.735 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 96.2 mt -57.83 -50.22 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.899 0.88 . . . . 0.0 110.267 171.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -61.27 -42.48 98.7 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.182 0.993 . . . . 0.0 112.195 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -59.13 -47.47 85.16 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.996 1.318 . . . . 0.0 112.082 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.84 -45.72 84.92 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.411 0.684 . . . . 0.0 112.786 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -61.53 -41.72 97.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.269 0.628 . . . . 0.0 111.957 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.67 91.79 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.663 0.785 . . . . 0.0 112.493 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.24 91.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -63.13 -42.99 99.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.451 1.1 . . . . 0.0 111.515 177.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -66.63 -38.4 86.85 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.07 -1.018 . . . . 0.0 112.925 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.86 81.8 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.301 0.64 . . . . 0.0 112.086 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.79 -28.99 65.06 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.18 -37.62 87.96 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.13 0.877 . . . . 0.0 111.473 172.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -76.23 -39.3 54.89 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.729 0.812 . . . . 0.0 112.68 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.23 77.59 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.181 -0.949 . . . . 0.0 113.152 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -82.76 -6.67 59.52 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.237 1.415 . . . . 0.0 114.454 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.15 -4.71 57.54 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -163.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 . . . . . 0 C--O 1.254 1.308 0 C-N-CA 125.493 1.517 . . . . 0.0 112.221 170.475 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 CA-C-O 119.824 -0.431 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -64.86 -25.99 59.9 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.793 2.996 . . . . 0.0 115.494 -174.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.19 -147.03 49.29 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.155 0.883 . . . . 0.0 113.637 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 t -80.37 -4.17 52.49 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -80.18 46.77 0.84 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.223 1.809 . . . . 0.0 114.077 -170.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -63.07 140.92 58.92 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.204 -0.935 . . . . 0.0 111.458 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.47 161.49 42.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.601 1.56 . . . . 0.0 110.882 -171.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 60.27 9.66 2.03 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.54 2.336 . . . . 0.0 115.715 -173.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -63.53 159.45 51.3 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 126.154 1.782 . . . . 0.0 111.171 159.204 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -62.76 156.6 52.42 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.942 2.428 . . . . 0.0 114.094 -172.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.8 tt -61.42 -35.6 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.538 1.135 . . . . 0.0 113.53 -172.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.87 -32.76 74.24 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.685 -0.634 . . . . 0.0 111.697 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -72.56 -50.11 27.8 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.306 -0.871 . . . . 0.0 111.969 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 pp -65.74 -33.08 75.03 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.556 1.071 . . . . 0.0 112.85 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.1 t -61.85 -47.98 82.59 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.889 0.876 . . . . 0.0 111.912 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.0 79.37 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.236 -0.915 . . . . 0.0 112.358 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.18 -52.41 62.48 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.271 1.028 . . . . 0.0 111.44 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.84 -35.95 81.65 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.236 1.38 . . . . 0.0 111.989 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mtm105 -71.75 -37.59 70.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.82 0.848 . . . . 0.0 112.501 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -70.25 -28.79 65.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.847 0.859 . . . . 0.0 113.301 171.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -64.9 -30.29 71.28 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.951 1.251 . . . . 0.0 111.856 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.2 mtm -85.43 -1.81 57.44 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.968 1.307 . . . . 0.0 114.188 168.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.43 18.67 69.93 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.842 1.21 . . . . 0.0 114.621 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -100.54 124.49 46.16 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.301 1.44 . . . . 0.0 112.189 -170.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -81.44 -13.51 58.14 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.882 1.273 . . . . 0.0 113.963 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.04 -152.24 14.17 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.208 1.385 . . . . 0.0 113.96 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.18 179.33 52.51 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.155 1.359 . . . . 0.0 114.63 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.27 168.69 50.44 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.286 0.946 . . . . 0.0 114.1 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.7 t -149.37 141.12 23.59 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.245 1.418 . . . . 0.0 111.289 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.53 -47.44 1.76 Allowed Glycine 0 CA--C 1.541 1.699 0 C-N-CA 125.797 1.665 . . . . 0.0 114.135 -175.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.92 -158.5 51.67 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.916 1.246 . . . . 0.0 114.517 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.07 -17.0 41.96 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.297 1.427 . . . . 0.0 116.028 172.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 t -82.94 154.46 24.54 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.613 1.706 . . . . 0.0 111.476 166.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.7 tpt -65.83 -20.44 66.25 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.095 0.958 . . . . 0.0 113.209 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -79.67 -25.64 41.24 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -72.01 -45.03 62.44 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.464 -0.773 . . . . 0.0 111.228 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 tt -60.42 -40.38 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.736 0.814 . . . . 0.0 111.737 170.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -34.65 73.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.288 0.949 . . . . 0.0 112.201 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -82.51 -53.54 5.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.444 1.098 . . . . 0.0 112.562 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.57 -41.14 89.01 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.516 0.726 . . . . 0.0 112.368 -175.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 tp -71.07 -33.81 70.59 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.701 -0.625 . . . . 0.0 111.973 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.82 87.59 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.703 0.801 . . . . 0.0 112.546 170.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -59.16 -45.5 90.83 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.298 1.839 . . . . 0.0 111.09 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -65.69 -45.29 83.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.312 1.045 . . . . 0.0 112.8 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.31 -39.42 86.94 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.427 1.091 . . . . 0.0 112.174 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.9 m -61.48 -38.02 85.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.578 -0.702 . . . . 0.0 112.187 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -66.25 -33.38 75.62 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.134 -0.979 . . . . 0.0 113.176 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.85 -47.39 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 118.642 0.655 . . . . 0.0 109.669 171.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -61.28 -40.58 94.64 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.6 0.76 . . . . 0.0 112.364 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -58.75 -50.9 72.23 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.331 0.969 . . . . 0.0 112.151 173.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.38 -47.73 82.87 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.828 0.851 . . . . 0.0 111.91 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -64.85 -40.5 95.26 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.436 0.694 . . . . 0.0 112.287 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.67 95.82 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.604 0.638 . . . . 0.0 112.443 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.73 90.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.333 0.653 . . . . 0.0 112.298 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -65.26 -43.85 90.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.218 1.007 . . . . 0.0 111.071 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -63.24 -38.29 90.6 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.396 -0.815 . . . . 0.0 112.849 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.33 -49.62 47.52 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.075 0.95 . . . . 0.0 113.122 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.42 -30.72 71.75 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.56 0.618 . . . . 0.0 112.415 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.79 -20.24 63.38 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -88.98 -36.05 16.07 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.535 1.134 . . . . 0.0 111.904 171.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.87 -33.47 75.67 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.601 1.161 . . . . 0.0 113.447 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -71.0 -9.59 58.28 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.9 ptt85 -127.91 3.08 5.97 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.093 1.757 . . . . 0.0 114.823 -174.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 125.574 1.55 . . . . 0.0 113.977 -179.883 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 CA-C-O 118.969 -0.906 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.86 -17.2 22.86 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 124.018 3.145 . . . . 0.0 114.899 -171.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.28 3.2 81.63 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.123 0.868 . . . . 0.0 115.147 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 80.2 p -81.05 14.04 2.47 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.847 2.059 . . . . 0.0 114.454 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -60.48 151.29 28.75 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.815 1.646 . . . . 0.0 114.433 -174.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -79.58 48.75 0.95 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.31 1.844 . . . . 0.0 113.76 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.51 -22.76 20.21 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.39 5.55 41.64 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -173.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' B' ' 109' ' ' LEU . 0.6 OUTLIER -58.92 158.22 17.5 Favored Pre-proline 0 CA--C 1.557 1.212 0 C-N-CA 125.949 1.7 . . . . 0.0 112.916 171.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.1 166.3 23.52 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.684 2.923 . . . . 0.0 114.519 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 20.7 tt -56.23 -38.36 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.991 1.716 . . . . 0.0 114.327 -173.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -67.95 -28.92 67.88 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.458 -0.776 . . . . 0.0 112.534 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -78.95 -54.87 5.6 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.679 0.792 . . . . 0.0 111.387 175.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.9 pp -61.56 -32.93 73.03 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.845 -1.16 . . . . 0.0 112.955 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 31.5 t -68.61 -27.18 65.8 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.906 1.282 . . . . 0.0 113.128 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.15 -30.23 21.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.384 1.074 . . . . 0.0 113.194 169.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.27 -41.03 97.1 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.356 -0.84 . . . . 0.0 111.586 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -59.59 -39.4 84.03 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.535 1.061 . . . . 0.0 111.962 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -68.98 -40.22 78.94 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.807 1.243 . . . . 0.0 112.359 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.1 -31.82 72.55 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -70.78 -30.35 66.8 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 120.814 -1.179 . . . . 0.0 112.939 169.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 32.6 mtt -78.02 -5.22 50.65 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.18 1.392 . . . . 0.0 113.261 169.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.48 6.05 64.61 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 126.09 1.805 . . . . 0.0 116.032 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -78.9 168.77 19.22 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.986 1.315 . . . . 0.0 112.173 173.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -70.84 -30.99 67.55 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.392 -1.443 . . . . 0.0 114.433 -177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 156.6 -75.65 0.21 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.352 0.977 . . . . 0.0 113.676 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 73.45 -75.43 1.01 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.655 1.121 . . . . 0.0 113.989 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.35 -1.32 71.42 Favored Glycine 0 CA--C 1.541 1.686 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 175.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 35.7 t -81.35 131.07 35.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.185 1.493 . . . . 0.0 111.083 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -174.67 -24.57 0.03 OUTLIER Glycine 0 CA--C 1.543 1.82 0 C-N-CA 127.543 2.497 . . . . 0.0 115.074 -3.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.65 -147.6 45.48 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 118.632 1.216 . . . . 0.0 113.868 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.12 -70.26 3.15 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.857 1.218 . . . . 0.0 113.286 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 71.4 m -69.1 146.17 52.79 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.394 0.678 . . . . 0.0 111.442 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -40.5 80.39 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.206 1.002 . . . . 0.0 112.976 -172.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -67.97 -26.57 65.99 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -80.72 -42.77 21.35 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.64 -1.287 . . . . 0.0 112.243 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 11.0 tt -61.32 -38.89 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.168 0.894 . . . . 0.0 111.203 170.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.78 -51.18 71.08 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.967 0.803 . . . . 0.0 111.921 172.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -62.3 -48.28 80.59 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.722 0.692 . . . . 0.0 112.659 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.36 -44.54 97.0 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.966 0.803 . . . . 0.0 111.326 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.3 tp -72.79 -34.57 67.01 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -177.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.98 75.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.192 0.997 . . . . 0.0 113.394 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -63.76 -46.58 84.65 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.884 1.274 . . . . 0.0 111.75 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 70.1 m -65.51 -41.96 92.62 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.556 0.742 . . . . 0.0 112.863 172.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.14 -39.96 92.01 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.264 0.938 . . . . 0.0 112.321 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 85.4 m -61.18 -42.32 98.36 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.325 -0.859 . . . . 0.0 111.734 173.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -69.54 -32.95 72.07 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.1 -51.76 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.406 1.003 . . . . 0.0 109.915 168.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.06 -40.19 94.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.379 1.072 . . . . 0.0 112.573 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -58.82 -49.36 77.99 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.528 1.131 . . . . 0.0 111.836 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.23 -39.22 82.39 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -60.1 -45.4 93.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.363 0.665 . . . . 0.0 112.319 172.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.34 98.91 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.768 0.713 . . . . 0.0 112.29 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.35 87.9 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.454 0.701 . . . . 0.0 112.835 176.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -65.86 -42.32 90.58 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.641 0.777 . . . . 0.0 111.707 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -64.63 -39.55 93.9 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.844 -1.16 . . . . 0.0 112.395 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.83 -46.0 83.79 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.713 0.805 . . . . 0.0 112.706 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.99 -30.71 68.11 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.667 0.667 . . . . 0.0 112.326 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.29 -42.1 93.45 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.402 1.001 . . . . 0.0 112.298 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -74.1 -29.83 62.04 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 176.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -72.21 -31.77 66.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.096 0.958 . . . . 0.0 113.314 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -103.26 16.86 25.47 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.508 1.923 . . . . 0.0 113.896 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 46.7 ttt85 -72.71 60.84 0.51 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 128.055 2.542 . . . . 0.0 114.228 -172.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 125.391 1.477 . . . . 0.0 113.218 171.314 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.446 0 CA-C-O 118.764 -1.02 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -69.41 163.6 37.36 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 124.077 3.185 . . . . 0.0 112.843 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.74 -138.74 46.6 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.373 0.987 . . . . 0.0 113.715 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p -75.48 44.54 0.27 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.495 1.918 . . . . 0.0 113.33 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 62.98 172.48 0.15 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 128.032 2.533 . . . . 0.0 114.905 -173.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -68.72 170.64 9.04 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.194 0.997 . . . . 0.0 111.929 166.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 67.48 131.8 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 127.95 2.5 . . . . 0.0 115.527 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.62 21.88 2.78 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.902 2.081 . . . . 0.0 115.918 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.3 148.5 98.73 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.517 1.127 . . . . 0.0 111.307 174.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -70.45 162.12 43.58 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.782 2.322 . . . . 0.0 112.389 -174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.6 tt -61.35 -28.55 44.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -63.34 -35.65 81.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.423 0.689 . . . . 0.0 112.182 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -74.2 -48.91 25.91 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.827 0.851 . . . . 0.0 112.037 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.27 -31.91 71.7 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.218 0.917 . . . . 0.0 112.349 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.9 t -62.35 -45.39 93.42 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.824 0.85 . . . . 0.0 112.088 167.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.33 -35.89 81.88 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.834 -1.166 . . . . 0.0 112.661 174.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.9 -46.18 79.27 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.241 -0.912 . . . . 0.0 112.096 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' B' ' 145' ' ' LEU . 1.5 pp -64.1 -36.05 82.77 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.223 1.374 . . . . 0.0 112.183 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -65.75 -45.98 80.54 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.455 1.102 . . . . 0.0 111.641 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -68.69 -35.54 77.32 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.369 1.067 . . . . 0.0 113.398 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -66.24 -27.44 67.97 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.052 -1.03 . . . . 0.0 113.389 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.4 mtt -86.47 -5.41 59.16 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.698 1.199 . . . . 0.0 113.925 171.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.42 18.5 79.11 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.943 1.259 . . . . 0.0 114.791 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -71.52 156.64 39.2 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.904 1.352 . . . . 0.0 113.205 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.28 -29.15 68.67 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -170.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.75 -168.24 40.53 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 115.098 0.799 . . . . 0.0 115.098 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.5 -176.1 28.25 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.468 1.509 . . . . 0.0 114.765 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.23 168.11 40.25 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.656 1.122 . . . . 0.0 113.983 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.8 m -67.04 154.81 40.28 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.739 1.216 . . . . 0.0 113.72 -176.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.34 160.34 32.98 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.81 1.671 . . . . 0.0 112.408 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.83 -0.54 25.77 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.198 1.38 . . . . 0.0 114.891 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.63 22.17 78.66 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 118.222 1.011 . . . . 0.0 113.217 -169.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.7 t -68.62 158.98 32.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.529 1.132 . . . . 0.0 112.362 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 tpt -63.12 -21.69 66.35 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.86 0.864 . . . . 0.0 112.741 169.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -74.64 -39.57 62.01 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.895 0.878 . . . . 0.0 112.191 170.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -64.66 -42.2 95.57 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.424 0.69 . . . . 0.0 111.686 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.16 -42.7 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.353 0.661 . . . . 0.0 112.364 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -62.33 -43.38 98.96 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.248 0.931 . . . . 0.0 111.599 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.28 -52.09 66.18 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.358 0.663 . . . . 0.0 112.203 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.29 -41.68 98.71 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.435 0.694 . . . . 0.0 112.433 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.7 tp -77.31 -34.33 55.41 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.656 -0.652 . . . . 0.0 112.39 -174.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.51 -39.44 77.56 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.899 0.88 . . . . 0.0 112.65 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -56.49 -46.36 80.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.999 1.72 . . . . 0.0 110.904 174.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -64.42 -46.62 82.41 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 173.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.65 -40.71 95.88 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.914 0.886 . . . . 0.0 112.672 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.3 m -61.46 -38.35 86.92 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.263 -0.898 . . . . 0.0 111.849 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.06 -32.71 74.08 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.161 -0.962 . . . . 0.0 113.297 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.26 -47.98 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.356 0.662 . . . . 0.0 109.971 172.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.29 -39.09 93.22 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.644 1.178 . . . . 0.0 112.802 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -58.85 -47.56 84.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.216 1.006 . . . . 0.0 111.862 172.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.11 -46.85 82.36 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.333 0.653 . . . . 0.0 111.624 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.15 -40.75 97.03 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.694 0.798 . . . . 0.0 112.72 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.82 88.74 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.556 0.616 . . . . 0.0 112.019 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.57 -47.6 75.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.659 0.784 . . . . 0.0 112.183 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -57.69 -48.51 79.34 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.348 1.459 . . . . 0.0 111.559 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -64.27 -42.14 96.59 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.616 0.766 . . . . 0.0 112.333 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.54 -42.0 59.59 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -174.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.475 HD11 HD11 ' B' ' 158' ' ' LEU . 0.7 OUTLIER -66.78 -28.19 68.19 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -176.069 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.46 -25.02 67.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.892 0.877 . . . . 0.0 113.177 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -89.1 -39.72 13.43 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.079 0.952 . . . . 0.0 112.439 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.2 -23.71 64.21 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -173.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -96.8 2.02 51.39 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.287 1.835 . . . . 0.0 114.259 -175.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 ptt85 -132.91 3.59 3.76 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.702 1.601 . . . . 0.0 114.988 -175.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 . . . . . 0 C--O 1.255 1.395 0 C-N-CA 125.243 1.417 . . . . 0.0 112.911 -167.103 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -58.84 156.63 32.1 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 124.32 3.347 . . . . 0.0 114.62 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.77 14.94 79.63 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.185 0.898 . . . . 0.0 115.08 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 77.7 p -69.98 156.95 38.38 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.892 1.677 . . . . 0.0 113.554 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 61.38 171.79 0.11 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 127.359 2.264 . . . . 0.0 116.315 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 48.8 p-10 -73.22 -179.94 3.59 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.826 1.25 . . . . 0.0 111.589 163.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . 62.76 3.32 1.14 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.981 2.112 . . . . 0.0 116.523 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -140.67 24.97 2.2 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.63 1.572 . . . . 0.0 113.35 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 pp -59.81 147.52 78.61 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.347 1.059 . . . . 0.0 111.004 170.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -73.03 164.82 34.48 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.282 2.655 . . . . 0.0 112.586 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 13.8 tt -58.63 -29.52 39.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -63.77 -36.37 83.66 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.425 0.69 . . . . 0.0 112.515 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -72.95 -49.92 26.49 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.302 0.641 . . . . 0.0 111.815 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.31 -32.17 73.42 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.223 0.92 . . . . 0.0 112.384 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 17.7 t -61.0 -47.98 83.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.196 0.998 . . . . 0.0 112.371 168.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.2 -33.97 77.26 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.134 -0.979 . . . . 0.0 112.365 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.17 -52.9 52.18 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.29 1.036 . . . . 0.0 111.828 174.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.68 -33.57 76.26 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.618 1.554 . . . . 0.0 112.62 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 47.1 mtm105 -68.74 -43.38 75.99 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.075 0.852 . . . . 0.0 112.897 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.39 -26.68 60.25 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.733 1.151 . . . . 0.0 112.825 176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -67.64 -37.46 82.48 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.052 -1.03 . . . . 0.0 112.519 169.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 73.3 mtm -74.59 -15.91 60.82 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 169.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.9 30.44 65.77 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.345 0.974 . . . . 0.0 114.192 -175.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -64.9 153.78 39.31 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.554 1.142 . . . . 0.0 113.692 -178.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.31 -9.98 59.05 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -171.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.92 -141.3 6.1 Favored Glycine 0 CA--C 1.534 1.239 0 O-C-N 121.31 -0.868 . . . . 0.0 114.961 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.01 147.33 50.14 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.047 1.308 . . . . 0.0 114.15 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -85.95 174.99 48.24 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.608 1.099 . . . . 0.0 114.602 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 48.8 m -80.41 27.31 0.35 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.212 1.405 . . . . 0.0 113.47 174.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -71.21 159.62 53.91 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.322 1.439 . . . . 0.0 115.332 -174.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 155.91 -170.63 33.73 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.12 1.343 . . . . 0.0 113.155 -176.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -86.48 -11.22 72.13 Favored Glycine 0 CA--C 1.544 1.864 0 N-CA-C 116.102 1.201 . . . . 0.0 116.102 -174.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 49.5 m -84.99 155.66 21.47 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.437 1.619 . . . . 0.0 112.907 -177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -36.13 73.51 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.824 1.25 . . . . 0.0 112.681 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -64.16 -29.48 70.59 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.179 -0.95 . . . . 0.0 112.909 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -75.08 -43.84 50.83 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.96 0.904 . . . . 0.0 111.473 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 12.7 tt -66.92 -38.84 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.101 0.96 . . . . 0.0 112.088 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -56.24 -42.97 78.2 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.122 0.874 . . . . 0.0 111.473 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -64.73 -56.07 15.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.731 0.812 . . . . 0.0 111.893 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.46 -44.53 96.18 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.474 -0.766 . . . . 0.0 112.479 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.48 -36.53 71.18 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.208 0.603 . . . . 0.0 112.479 -176.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.22 85.89 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -61.15 -50.76 71.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.496 0.718 . . . . 0.0 112.111 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 10.3 t -60.5 -40.2 90.48 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.9 tm? -62.22 -43.11 99.58 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.43 1.092 . . . . 0.0 112.512 172.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.1 m -61.35 -35.89 78.69 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.928 -1.107 . . . . 0.0 112.156 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -68.49 -32.88 73.16 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.448 -0.782 . . . . 0.0 112.764 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.3 -51.55 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 119.498 1.045 . . . . 0.0 109.84 170.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.36 -41.98 81.18 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.946 0.898 . . . . 0.0 111.822 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -63.16 -48.39 78.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.66 1.184 . . . . 0.0 112.192 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.15 -36.32 74.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -62.12 -43.15 99.46 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.751 0.705 . . . . 0.0 111.195 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.22 98.21 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.366 0.666 . . . . 0.0 112.585 174.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.85 96.9 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.524 0.73 . . . . 0.0 112.688 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -63.08 -43.26 99.03 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.41 1.084 . . . . 0.0 111.246 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -65.15 -36.32 83.87 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.859 0.864 . . . . 0.0 113.17 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -74.74 -43.84 52.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.959 0.904 . . . . 0.0 113.248 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 58' ' ' LEU . 2.3 pp -65.82 -28.39 68.96 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.213 -0.929 . . . . 0.0 112.33 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.2 -18.72 61.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.364 1.066 . . . . 0.0 113.301 172.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -93.81 -43.79 8.43 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.695 1.198 . . . . 0.0 111.171 170.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -68.09 -33.72 75.07 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -173.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -81.17 -6.21 58.58 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 36.7 ttm-85 -76.47 -7.1 54.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.704 2.002 . . . . 0.0 115.7 -171.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.242 1.817 . . . . 0.0 112.467 177.663 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.67 -24.31 25.66 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 123.912 3.075 . . . . 0.0 114.111 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.22 -158.94 27.86 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.947 1.26 . . . . 0.0 113.003 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.8 p -144.22 113.73 7.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.283 1.833 . . . . 0.0 109.461 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 63.5 171.29 0.16 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 131.211 3.804 . . . . 0.0 114.905 4.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -75.39 70.14 2.25 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.958 1.703 . . . . 0.0 113.026 -170.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -142.65 113.45 7.49 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.19 1.396 . . . . 0.0 111.568 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 50.55 29.35 3.98 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.112 2.165 . . . . 0.0 115.992 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.81 152.42 86.77 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.997 0.919 . . . . 0.0 112.448 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.72 167.64 22.35 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.527 2.818 . . . . 0.0 113.818 -169.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.5 tt -59.44 -35.96 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -66.16 -27.69 68.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.797 0.839 . . . . 0.0 112.798 175.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.5 -52.73 6.93 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.437 0.695 . . . . 0.0 112.014 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 pp -63.13 -33.87 76.4 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.306 1.412 . . . . 0.0 113.234 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -68.49 -27.41 66.12 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.913 1.285 . . . . 0.0 113.417 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.89 -36.94 23.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.308 1.043 . . . . 0.0 112.168 170.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.63 -40.85 97.92 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.302 1.041 . . . . 0.0 112.157 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.32 -34.11 77.39 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.034 1.288 . . . . 0.0 112.649 176.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -70.08 -41.0 74.68 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.046 0.939 . . . . 0.0 111.543 172.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.15 -35.12 79.74 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.094 1.358 . . . . 0.0 112.744 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.43 -27.11 65.91 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.191 -0.943 . . . . 0.0 113.095 171.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.1 mtt -80.55 -6.88 58.89 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.882 1.273 . . . . 0.0 113.125 168.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.98 1.98 62.81 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.744 1.64 . . . . 0.0 115.656 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -87.05 74.51 9.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.229 1.412 . . . . 0.0 109.948 169.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -60.34 -26.39 66.54 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -165.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.5 -13.86 83.01 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.537 1.065 . . . . 0.0 115.377 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.53 -140.48 47.42 Favored Glycine 0 CA--C 1.541 1.675 0 CA-C-N 118.867 1.333 . . . . 0.0 113.577 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.82 -168.41 34.41 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.326 0.965 . . . . 0.0 113.731 174.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 t -69.62 161.46 29.6 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.267 1.027 . . . . 0.0 112.161 171.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.64 166.6 31.43 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.451 1.024 . . . . 0.0 114.348 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.82 8.85 64.76 Favored Glycine 0 CA--C 1.539 1.578 0 N-CA-C 116.542 1.377 . . . . 0.0 116.542 174.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.2 -0.25 88.62 Favored Glycine 0 CA--C 1.543 1.842 0 CA-C-N 118.821 1.31 . . . . 0.0 115.65 -174.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.8 t -155.47 159.77 40.06 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.786 2.034 . . . . 0.0 110.629 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.6 -31.37 66.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.694 0.797 . . . . 0.0 112.801 169.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -72.35 -27.14 62.22 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 173.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -79.26 -49.31 12.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.853 0.861 . . . . 0.0 111.588 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.2 tt -61.1 -38.13 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.028 0.931 . . . . 0.0 112.412 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.97 -43.59 94.98 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.188 0.904 . . . . 0.0 111.853 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -70.97 -45.71 63.61 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.732 -0.605 . . . . 0.0 112.117 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.41 -43.06 82.17 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.078 1.351 . . . . 0.0 113.101 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.4 tp -72.45 -35.8 68.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.731 0.812 . . . . 0.0 111.879 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.92 83.34 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 172.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -59.97 -47.5 85.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.19 0.996 . . . . 0.0 111.709 171.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 t -60.46 -42.95 97.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.519 0.728 . . . . 0.0 111.958 175.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.7 -42.13 99.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.402 1.081 . . . . 0.0 113.012 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.9 m -61.79 -39.28 91.14 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.058 -1.026 . . . . 0.0 112.552 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -65.23 -30.18 71.04 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.964 -1.085 . . . . 0.0 113.043 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mt -61.01 -48.79 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.247 -0.908 . . . . 0.0 110.133 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -64.05 -37.09 86.18 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.408 1.083 . . . . 0.0 112.382 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -61.32 -43.39 98.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.387 1.075 . . . . 0.0 112.424 174.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.71 -45.91 77.24 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.959 0.504 . . . . 0.0 111.703 175.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -62.98 -36.41 83.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.524 0.73 . . . . 0.0 112.954 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.44 94.17 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.108 0.867 . . . . 0.0 112.04 174.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.31 84.81 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.604 0.762 . . . . 0.0 112.889 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -64.61 -43.58 93.29 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.441 1.097 . . . . 0.0 111.262 177.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.53 -35.94 82.35 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.79 -1.194 . . . . 0.0 112.754 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.07 85.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.967 0.907 . . . . 0.0 112.953 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.69 -37.31 56.35 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.193 0.906 . . . . 0.0 111.966 176.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.18 -41.7 97.25 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.773 1.169 . . . . 0.0 113.024 -174.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -72.93 -21.85 60.82 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.4 -42.87 9.53 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.745 1.218 . . . . 0.0 113.113 -178.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -84.27 -0.07 50.96 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.345 1.858 . . . . 0.0 114.554 -169.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -70.74 -4.99 26.63 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.889 2.076 . . . . 0.0 116.182 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 . . . . . 0 N--CA 1.484 1.259 0 C-N-CA 127.061 2.144 . . . . 0.0 112.496 176.222 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 CA-C-O 119.413 -0.659 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -60.38 156.29 41.91 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.915 3.076 . . . . 0.0 114.651 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.41 13.34 11.35 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.248 1.404 . . . . 0.0 115.319 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 20.3 m -58.3 133.59 55.82 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.327 1.451 . . . . 0.0 113.707 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -75.13 170.39 16.13 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.141 1.376 . . . . 0.0 112.895 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -72.1 4.98 3.02 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.253 1.421 . . . . 0.0 114.834 174.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -134.73 129.14 34.24 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.678 1.591 . . . . 0.0 110.318 -164.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 59.03 22.81 10.89 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.861 1.665 . . . . 0.0 115.143 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.63 159.61 41.75 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.548 1.539 . . . . 0.0 111.157 165.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -58.85 152.16 59.5 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.101 2.534 . . . . 0.0 113.956 -173.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 14.7 tt -64.68 -29.45 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -169.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -67.11 -31.79 72.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.574 0.75 . . . . 0.0 112.085 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -74.33 -49.25 23.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.059 0.944 . . . . 0.0 111.752 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.54 -32.5 73.32 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.498 -0.751 . . . . 0.0 112.731 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 28.2 t -63.53 -45.66 89.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.279 0.632 . . . . 0.0 111.976 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.82 77.31 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.319 -1.488 . . . . 0.0 112.848 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.7 mp -63.73 -48.21 77.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.635 175.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.98 -34.57 78.04 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.261 1.391 . . . . 0.0 112.526 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -61.71 -50.67 71.49 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.608 0.763 . . . . 0.0 111.34 171.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -66.7 -33.7 76.21 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -62.14 -33.29 74.2 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.238 0.926 . . . . 0.0 112.593 172.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 23.6 mtt -89.03 1.45 55.52 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.018 1.327 . . . . 0.0 113.439 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.68 18.37 73.9 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.569 1.08 . . . . 0.0 114.079 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -71.29 132.1 44.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.856 1.262 . . . . 0.0 111.594 -176.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.94 -18.55 62.0 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.738 1.215 . . . . 0.0 113.04 174.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.9 151.62 51.21 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.732 1.158 . . . . 0.0 113.552 175.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -156.19 37.53 0.6 Allowed Glycine 0 N--CA 1.473 1.14 0 C-N-CA 124.505 1.05 . . . . 0.0 113.741 -173.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -64.16 164.03 33.35 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.529 1.062 . . . . 0.0 114.443 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 78.2 p -146.71 160.48 42.17 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.798 1.639 . . . . 0.0 112.439 -172.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 70.14 -143.95 38.64 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.26 0.933 . . . . 0.0 113.519 -178.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 74.5 -165.62 54.77 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.139 0.876 . . . . 0.0 113.323 -172.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 149.63 1.4 0.36 Allowed Glycine 0 CA--C 1.536 1.346 0 N-CA-C 115.729 1.052 . . . . 0.0 115.729 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 83.7 p -74.07 165.12 25.7 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.749 1.275 . . . . 0.0 112.031 175.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -33.92 68.92 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -172.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.57 -27.74 64.36 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.269 -0.894 . . . . 0.0 113.208 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -72.54 -48.35 40.97 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.088 -1.007 . . . . 0.0 110.86 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.2 tt -65.48 -40.61 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.06 0.944 . . . . 0.0 111.856 176.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -58.71 -50.14 74.99 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.797 1.18 . . . . 0.0 111.648 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.67 -50.64 70.39 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.803 0.728 . . . . 0.0 112.078 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.58 -43.87 92.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.048 0.84 . . . . 0.0 112.432 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.3 tp -75.95 -30.99 58.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.397 0.679 . . . . 0.0 112.205 -175.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.53 -42.04 75.18 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.458 -0.776 . . . . 0.0 112.21 170.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.86 -46.54 88.99 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.697 1.599 . . . . 0.0 112.049 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 53.6 p -68.2 -39.45 82.46 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.058 0.943 . . . . 0.0 112.999 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.45 -39.78 94.49 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.008 0.822 . . . . 0.0 112.13 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 85.5 m -63.72 -38.22 90.29 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.376 -0.827 . . . . 0.0 111.41 175.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -66.77 -33.8 76.43 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.179 -0.951 . . . . 0.0 113.267 175.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.41 -52.49 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 119.691 1.132 . . . . 0.0 110.009 168.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -58.33 -42.42 86.74 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.744 0.817 . . . . 0.0 111.903 -178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -61.15 -46.48 90.38 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.792 0.837 . . . . 0.0 112.771 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.09 -38.39 72.4 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -62.77 -43.15 99.56 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.294 0.638 . . . . 0.0 111.494 173.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.2 94.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.788 0.835 . . . . 0.0 113.088 174.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.8 -42.88 90.13 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.848 0.859 . . . . 0.0 112.607 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -63.36 -40.3 96.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.984 0.914 . . . . 0.0 111.447 175.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -66.47 -41.02 89.63 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.069 -1.019 . . . . 0.0 112.991 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.97 83.78 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.129 -0.982 . . . . 0.0 112.664 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.62 -28.41 65.9 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.628 -0.67 . . . . 0.0 112.466 176.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.49 -45.42 79.7 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.841 0.746 . . . . 0.0 111.09 173.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -63.42 -36.69 84.56 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.585 0.754 . . . . 0.0 112.6 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -69.13 -12.95 62.13 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -129.79 22.35 5.42 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.314 1.845 . . . . 0.0 112.933 -174.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -77.91 -15.81 58.72 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 -175.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 127.025 2.13 . . . . 0.0 113.108 -169.498 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 CA-C-O 119.645 -0.531 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -58.99 152.25 59.87 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 124.622 3.548 . . . . 0.0 114.618 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.32 17.88 77.84 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.098 0.856 . . . . 0.0 114.941 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 p -62.37 138.49 58.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.702 1.201 . . . . 0.0 113.014 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.15 164.44 15.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.855 1.262 . . . . 0.0 112.87 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 56.19 28.46 13.17 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.633 1.973 . . . . 0.0 115.179 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.3 104.84 7.02 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.2 1.4 . . . . 0.0 112.503 -173.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.5 34.06 17.51 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.116 1.766 . . . . 0.0 114.977 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.91 154.23 77.12 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.91 1.284 . . . . 0.0 113.008 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.17 162.11 39.89 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.275 2.65 . . . . 0.0 113.104 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.11 -28.59 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -172.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -62.12 -35.07 77.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.487 0.715 . . . . 0.0 112.174 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -77.57 -50.62 12.18 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.704 0.802 . . . . 0.0 112.207 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.41 -32.57 74.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.472 1.033 . . . . 0.0 112.526 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.3 m -70.86 -33.84 71.04 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.041 0.536 . . . . 0.0 112.181 173.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.72 -35.5 72.75 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.167 -0.958 . . . . 0.0 112.865 170.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.44 -50.36 71.8 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.212 0.914 . . . . 0.0 111.527 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.28 -35.98 82.59 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.784 1.174 . . . . 0.0 112.71 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -67.56 -41.19 84.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.985 0.914 . . . . 0.0 112.244 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -70.64 -35.41 72.89 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.893 0.877 . . . . 0.0 112.898 175.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.94 -31.77 72.88 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.879 -1.138 . . . . 0.0 112.891 173.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.3 mtt -80.17 -7.38 58.92 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.397 1.079 . . . . 0.0 113.817 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.6 26.64 60.62 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.686 1.136 . . . . 0.0 114.735 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.21 159.22 26.9 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.721 1.26 . . . . 0.0 113.448 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -69.41 -12.44 61.66 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.674 1.19 . . . . 0.0 113.866 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -166.63 159.68 33.08 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.799 1.19 . . . . 0.0 112.922 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.8 -163.65 27.97 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.672 1.606 . . . . 0.0 114.905 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.28 -172.62 52.66 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.244 1.402 . . . . 0.0 115.096 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.4 p -157.04 171.94 19.56 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.107 1.763 . . . . 0.0 111.293 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.66 -175.61 33.87 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.455 1.026 . . . . 0.0 113.042 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.2 -134.41 23.03 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 123.845 0.736 . . . . 0.0 112.855 -175.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 157.26 5.85 0.07 OUTLIER Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.885 1.231 . . . . 0.0 115.423 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.1 p -74.44 169.06 18.47 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 118.672 1.236 . . . . 0.0 112.323 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -33.88 69.08 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.195 0.598 . . . . 0.0 112.275 171.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -68.16 -33.67 74.89 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.346 -0.846 . . . . 0.0 112.95 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -67.33 -47.83 69.32 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.577 -0.702 . . . . 0.0 111.786 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 tt -67.2 -39.23 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 123.457 0.703 . . . . 0.0 112.409 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.29 -48.37 80.69 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.109 0.868 . . . . 0.0 111.765 174.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.59 -50.65 68.58 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.313 0.506 . . . . 0.0 112.245 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.9 -46.6 89.98 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.752 0.706 . . . . 0.0 112.426 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.2 tp -74.84 -35.04 62.4 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.892 -0.505 . . . . 0.0 112.254 -173.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.58 85.19 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.465 -0.772 . . . . 0.0 112.765 170.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.51 -45.49 92.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.108 1.363 . . . . 0.0 111.631 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -60.16 -45.46 92.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.537 0.735 . . . . 0.0 112.521 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.05 -44.25 97.09 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.062 0.945 . . . . 0.0 112.7 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.1 m -60.22 -36.71 78.3 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.05 -1.032 . . . . 0.0 112.353 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -67.22 -32.91 74.27 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.262 -0.899 . . . . 0.0 112.778 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.51 -50.68 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 119.111 0.869 . . . . 0.0 110.069 172.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.23 -38.41 90.96 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.358 1.063 . . . . 0.0 112.21 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -59.68 -47.07 87.1 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.249 1.02 . . . . 0.0 111.939 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.46 -45.34 84.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.373 0.669 . . . . 0.0 112.142 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.02 -40.18 94.48 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.913 0.778 . . . . 0.0 112.886 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.41 -45.96 92.15 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.314 0.646 . . . . 0.0 111.805 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.53 81.44 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.342 0.657 . . . . 0.0 112.476 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -61.4 -44.74 96.62 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.859 1.264 . . . . 0.0 111.891 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.44 -45.26 91.69 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.197 0.599 . . . . 0.0 111.856 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.6 80.08 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.61 -0.682 . . . . 0.0 112.634 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.11 -33.89 76.45 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -68.99 -37.88 78.98 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.374 0.988 . . . . 0.0 112.077 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -72.82 -35.17 67.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.713 0.805 . . . . 0.0 112.759 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.92 74.48 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.421 -0.8 . . . . 0.0 112.976 176.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -96.3 13.06 28.86 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.919 1.688 . . . . 0.0 114.127 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -67.26 -13.16 61.72 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.424 1.89 . . . . 0.0 115.453 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 127.155 2.182 . . . . 0.0 112.222 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.443 0 CA-C-O 119.372 -0.682 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -60.56 149.0 89.26 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 124.189 3.259 . . . . 0.0 113.818 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.41 31.76 0.12 Allowed Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.144 0.878 . . . . 0.0 114.108 -176.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 24.5 m -70.48 152.12 44.37 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.871 1.268 . . . . 0.0 112.985 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -138.48 151.89 47.8 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.813 1.645 . . . . 0.0 111.306 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -80.94 40.17 0.52 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.674 1.589 . . . . 0.0 113.004 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.88 -14.11 18.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.531 1.532 . . . . 0.0 114.031 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.85 59.99 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -173.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.436 ' H ' ' HG ' ' B' ' 109' ' ' LEU . 1.3 pp -58.78 153.66 41.17 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 125.984 1.714 . . . . 0.0 112.437 169.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -62.81 151.96 81.23 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.423 2.749 . . . . 0.0 112.407 -175.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 9.6 tt -62.35 -27.71 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -64.6 -27.95 69.29 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.267 -0.896 . . . . 0.0 113.386 174.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.17 -51.26 12.5 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.35 0.977 . . . . 0.0 111.972 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.47 -31.33 72.49 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.114 -0.991 . . . . 0.0 112.192 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 49.1 m -70.48 -41.4 72.77 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.383 0.673 . . . . 0.0 112.331 171.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.98 74.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.977 -1.077 . . . . 0.0 112.322 174.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.89 -49.99 66.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.356 1.062 . . . . 0.0 111.961 173.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.7 -34.84 77.68 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.115 1.325 . . . . 0.0 112.762 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -63.9 -46.56 84.29 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 118.558 -0.734 . . . . 0.0 112.48 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.05 -26.12 61.18 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.019 0.827 . . . . 0.0 113.101 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.4 -28.36 69.73 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.285 -0.884 . . . . 0.0 113.256 168.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 74.1 mtm -105.2 2.33 29.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.552 1.541 . . . . 0.0 114.255 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.19 27.97 73.51 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.352 0.977 . . . . 0.0 114.345 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -75.49 63.34 1.48 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.965 1.706 . . . . 0.0 112.171 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 56.41 32.63 20.98 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.563 1.945 . . . . 0.0 113.845 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 83.26 -141.06 20.38 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.717 1.151 . . . . 0.0 111.815 -173.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.74 173.73 54.97 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 123.953 0.787 . . . . 0.0 114.238 174.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 174.48 164.03 28.73 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 124.982 1.277 . . . . 0.0 112.92 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 78.2 p -65.29 163.63 15.04 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -175.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.84 -137.72 4.51 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.626 1.584 . . . . 0.0 113.401 173.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -171.54 -165.95 29.56 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.626 1.108 . . . . 0.0 112.889 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -163.14 -14.61 0.03 OUTLIER Glycine 0 CA--C 1.534 1.251 0 N-CA-C 116.623 1.409 . . . . 0.0 116.623 -177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 30.9 t -74.74 159.18 32.34 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.556 1.678 . . . . 0.0 111.373 168.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -36.64 72.27 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.333 1.053 . . . . 0.0 112.881 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -22.8 63.16 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 175.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -75.87 -49.25 18.46 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.359 0.982 . . . . 0.0 110.379 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.7 tt -67.11 -40.78 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.639 1.175 . . . . 0.0 112.003 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.62 -36.44 78.63 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.235 0.925 . . . . 0.0 111.989 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -73.06 -58.28 3.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.007 0.821 . . . . 0.0 112.361 173.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.06 -43.58 98.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.689 0.796 . . . . 0.0 113.13 -173.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 21.0 tp -75.26 -23.74 57.52 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.896 0.879 . . . . 0.0 112.921 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -81.19 -37.13 29.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.922 0.889 . . . . 0.0 113.315 168.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -59.69 -51.85 68.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.071 1.349 . . . . 0.0 111.147 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 44.5 p -62.51 -39.36 93.26 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.147 0.979 . . . . 0.0 112.714 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.32 -39.69 91.45 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.034 -1.041 . . . . 0.0 112.331 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 97.0 m -60.93 -35.74 77.5 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.005 -1.059 . . . . 0.0 112.016 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.44 -31.84 67.67 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.993 -1.067 . . . . 0.0 113.143 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 78.9 mt -58.82 -52.89 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.657 1.117 . . . . 0.0 109.451 169.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -57.59 -42.58 83.47 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.196 0.999 . . . . 0.0 112.48 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -60.05 -48.88 79.89 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.103 0.961 . . . . 0.0 112.486 177.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.42 -35.35 60.99 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -60.97 -43.92 98.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.365 0.529 . . . . 0.0 111.551 171.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.82 98.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.412 0.685 . . . . 0.0 112.499 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.32 -43.61 94.14 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.611 0.764 . . . . 0.0 112.904 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -66.08 -41.5 90.62 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.806 0.842 . . . . 0.0 111.181 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.12 -35.86 82.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.664 -1.273 . . . . 0.0 113.009 176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.92 75.11 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.068 0.947 . . . . 0.0 113.515 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.0 pp -77.55 -34.27 53.85 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.808 0.731 . . . . 0.0 112.465 176.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.43 -40.5 93.39 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.019 -1.05 . . . . 0.0 112.226 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -74.76 -20.23 59.89 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -83.55 -45.23 13.77 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.377 1.071 . . . . 0.0 112.683 177.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -70.19 -14.64 62.72 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -173.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -75.95 -11.62 59.99 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 126.283 1.833 . . . . 0.0 113.11 178.672 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -71.53 -18.34 29.41 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 124.054 3.169 . . . . 0.0 114.812 -177.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 178.53 -155.87 17.65 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.156 1.36 . . . . 0.0 112.779 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.9 t -139.91 132.91 29.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.997 1.319 . . . . 0.0 110.771 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -146.28 172.48 13.41 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.436 1.494 . . . . 0.0 112.322 -164.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -135.29 24.61 3.51 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.767 1.627 . . . . 0.0 113.078 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.22 96.16 5.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.422 1.489 . . . . 0.0 111.727 -168.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.5 30.36 10.48 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.471 1.908 . . . . 0.0 115.53 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 pp -60.84 146.49 86.78 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.021 0.928 . . . . 0.0 111.312 173.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.33 164.25 34.52 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.034 2.489 . . . . 0.0 112.35 -175.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 tt -53.41 -35.92 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.967 1.307 . . . . 0.0 113.822 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -65.46 -32.73 74.5 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.46 0.704 . . . . 0.0 112.297 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -74.61 -47.2 33.64 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.243 -0.911 . . . . 0.0 112.072 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.56 -31.03 70.82 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.62 1.1 . . . . 0.0 112.216 175.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.5 t -65.8 -46.86 77.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.399 0.68 . . . . 0.0 111.653 169.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.58 75.46 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.422 -1.424 . . . . 0.0 112.412 174.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.88 -52.38 56.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.201 1.0 . . . . 0.0 112.649 174.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.9 -32.16 73.51 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.526 1.512 . . . . 0.0 112.826 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -63.83 -48.1 78.15 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.071 0.948 . . . . 0.0 110.762 171.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.95 -37.51 85.02 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.659 1.184 . . . . 0.0 112.832 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -64.46 -30.96 71.99 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.362 -0.837 . . . . 0.0 112.71 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.1 mtm -87.26 4.15 43.82 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.302 1.441 . . . . 0.0 114.065 171.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.32 5.56 85.62 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 125.113 1.339 . . . . 0.0 115.524 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -76.66 148.58 36.78 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.282 1.433 . . . . 0.0 111.385 172.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -133.44 12.02 4.13 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.717 1.607 . . . . 0.0 113.98 -173.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.48 175.35 21.04 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 126.309 1.909 . . . . 0.0 112.327 172.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.63 -175.3 38.76 Favored Glycine 0 CA--C 1.544 1.844 0 O-C-N 121.712 -0.875 . . . . 0.0 114.815 -177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.12 -145.56 4.75 Favored Glycine 0 N--CA 1.474 1.232 0 C-N-CA 124.876 1.227 . . . . 0.0 112.811 -175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -68.18 -18.22 64.54 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.34 -9.68 19.58 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.353 1.454 . . . . 0.0 115.855 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.67 -8.08 27.99 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.542 1.544 . . . . 0.0 115.508 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.11 13.7 76.3 Favored Glycine 0 CA--C 1.544 1.894 0 N-CA-C 117.187 1.635 . . . . 0.0 117.187 170.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.9 m -72.21 161.93 30.17 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.435 1.618 . . . . 0.0 111.348 169.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.2 mmt -54.65 -34.97 63.0 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -176.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -71.39 -30.79 66.53 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 175.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -71.41 -45.46 62.66 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.044 0.938 . . . . 0.0 110.555 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.4 tt -69.45 -41.35 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.44 0.696 . . . . 0.0 111.736 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -58.83 -41.72 87.53 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.421 1.01 . . . . 0.0 112.267 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -71.21 -51.7 23.25 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.755 0.707 . . . . 0.0 111.768 176.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.46 -39.83 85.35 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.531 -0.731 . . . . 0.0 112.452 -172.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.6 tp -74.33 -27.07 60.52 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.503 1.121 . . . . 0.0 112.768 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.79 -31.99 63.54 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.314 -0.866 . . . . 0.0 112.16 168.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -64.13 -47.19 80.91 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.03 -1.044 . . . . 0.0 112.666 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.3 p -64.15 -39.84 94.89 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.415 0.686 . . . . 0.0 112.467 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.21 -44.88 92.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.438 1.017 . . . . 0.0 111.655 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.8 m -62.54 -32.26 73.18 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.264 -0.897 . . . . 0.0 112.052 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -67.78 -33.57 75.09 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.622 -1.299 . . . . 0.0 113.353 173.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.85 -46.66 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-N 119.023 0.829 . . . . 0.0 110.022 171.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -58.0 -46.19 85.62 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.332 1.053 . . . . 0.0 111.341 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -61.79 -42.84 99.51 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.578 1.151 . . . . 0.0 112.966 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.82 -48.73 80.46 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.578 0.751 . . . . 0.0 111.816 176.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.81 -35.51 77.08 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.76 0.824 . . . . 0.0 111.99 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.37 88.59 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.385 0.674 . . . . 0.0 112.424 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.0 96.62 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.47 -0.769 . . . . 0.0 112.704 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -62.61 -44.95 95.01 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.185 0.994 . . . . 0.0 111.275 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -63.87 -38.77 92.32 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.221 -0.925 . . . . 0.0 112.246 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.98 -47.87 67.35 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.375 0.67 . . . . 0.0 112.629 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.434 HD11 HD11 ' B' ' 158' ' ' LEU . 3.9 pp -67.06 -30.86 71.03 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.454 -0.779 . . . . 0.0 112.193 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.44 -16.8 63.06 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -96.95 -44.03 7.2 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.284 1.033 . . . . 0.0 111.804 168.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.82 -30.08 71.21 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -73.19 -6.92 48.96 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -136.02 19.98 3.23 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.074 1.749 . . . . 0.0 113.979 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 . . . . . 0 C--O 1.255 1.343 0 C-N-CA 125.802 1.641 . . . . 0.0 113.327 177.16 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 CA-C-O 119.451 -0.638 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -66.7 152.91 79.67 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 124.031 3.154 . . . . 0.0 112.852 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.07 41.2 2.19 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.629 1.585 . . . . 0.0 114.493 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 25.4 m 55.4 40.18 31.32 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.064 1.746 . . . . 0.0 113.353 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -62.66 125.22 23.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.072 0.949 . . . . 0.0 111.801 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 55.56 24.03 6.57 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.393 1.877 . . . . 0.0 115.25 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.15 81.62 7.3 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.259 1.423 . . . . 0.0 113.254 -171.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.53 36.83 21.45 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.852 1.661 . . . . 0.0 114.222 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.66 150.73 85.88 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.175 1.39 . . . . 0.0 112.644 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.29 161.51 45.59 Favored 'Trans proline' 0 CA--C 1.535 0.525 0 C-N-CA 122.971 2.447 . . . . 0.0 113.122 -173.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.2 tt -61.15 -30.05 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.354 1.062 . . . . 0.0 113.838 -173.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -68.72 -29.55 67.99 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.518 -0.739 . . . . 0.0 112.821 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -78.49 -45.1 22.84 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.798 0.839 . . . . 0.0 112.497 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.94 -32.83 74.35 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.469 1.031 . . . . 0.0 111.718 173.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.7 t -62.8 -46.7 86.77 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.642 0.777 . . . . 0.0 111.805 168.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -34.93 75.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.848 -1.158 . . . . 0.0 112.889 175.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.3 mp -67.2 -49.89 62.92 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.894 0.878 . . . . 0.0 112.472 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.7 -35.07 79.7 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.357 1.435 . . . . 0.0 112.412 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -62.62 -43.91 97.62 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.218 1.007 . . . . 0.0 112.107 172.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.54 -38.41 89.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.025 1.33 . . . . 0.0 112.515 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -62.54 -37.08 84.7 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.961 -1.087 . . . . 0.0 113.291 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 71.8 mtm -83.76 -2.14 55.67 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 173.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.5 20.22 77.08 Favored Glycine 0 CA--C 1.537 1.422 0 N-CA-C 115.55 0.98 . . . . 0.0 115.55 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -70.94 140.94 51.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.863 1.331 . . . . 0.0 111.514 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -72.37 -35.46 68.48 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -175.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -97.65 117.6 5.85 Favored Glycine 0 N--CA 1.471 0.993 0 C-N-CA 124.477 1.037 . . . . 0.0 112.664 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.45 149.21 27.18 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.111 1.338 . . . . 0.0 112.883 171.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.21 169.47 9.62 Favored Glycine 0 CA--C 1.543 1.834 0 C-N-CA 124.373 0.987 . . . . 0.0 113.844 -171.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 69.2 m -142.41 162.52 35.26 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 128.231 2.612 . . . . 0.0 111.381 9.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -72.65 98.01 0.83 Allowed Glycine 0 CA--C 1.533 1.196 0 C-N-CA 123.507 0.575 . . . . 0.0 112.679 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.63 -26.69 70.93 Favored Glycine 0 CA--C 1.536 1.363 0 N-CA-C 114.724 0.65 . . . . 0.0 114.724 -176.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.85 -26.48 1.42 Allowed Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.471 1.51 . . . . 0.0 116.139 173.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.2 m -64.36 151.62 43.5 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 118.96 1.38 . . . . 0.0 112.091 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 6.4 tpt -66.3 -22.08 66.28 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -168.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -79.0 -37.19 39.87 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.043 -1.036 . . . . 0.0 112.777 170.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.29 -38.62 78.4 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.342 -0.849 . . . . 0.0 112.166 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 18.0 tt -61.1 -43.33 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.139 0.576 . . . . 0.0 111.522 171.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -64.7 -41.22 96.17 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.527 0.603 . . . . 0.0 111.754 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.97 -53.99 50.48 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.932 0.893 . . . . 0.0 112.445 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.63 -42.61 99.14 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.658 0.783 . . . . 0.0 111.724 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.3 tp -76.31 -27.6 56.62 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.847 0.859 . . . . 0.0 112.815 -176.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.3 68.97 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.142 0.977 . . . . 0.0 112.359 169.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.04 -49.45 74.55 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.269 0.627 . . . . 0.0 112.125 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 65.2 p -62.12 -37.82 86.57 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.92 -42.39 99.04 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.032 -1.043 . . . . 0.0 112.498 171.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 98.2 m -62.06 -38.08 87.4 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 121.186 -0.946 . . . . 0.0 112.074 176.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -66.92 -33.93 76.68 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.364 -0.835 . . . . 0.0 113.115 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.01 -51.27 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.269 -0.895 . . . . 0.0 110.09 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.84 -39.46 89.18 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.207 1.003 . . . . 0.0 111.961 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -58.62 -48.68 80.17 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.486 1.114 . . . . 0.0 111.737 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.77 -34.44 66.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.626 0.77 . . . . 0.0 112.59 -178.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -61.17 -43.83 98.26 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.286 0.948 . . . . 0.0 112.239 169.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.7 -44.28 97.25 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.145 0.43 . . . . 0.0 112.121 176.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.98 90.82 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -62.3 -46.02 90.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.963 1.305 . . . . 0.0 111.387 177.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -63.94 -44.28 93.29 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.634 -0.666 . . . . 0.0 111.931 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.96 88.13 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.646 0.778 . . . . 0.0 112.537 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . 0.434 HD11 HD11 ' A' ' 58' ' ' LEU . 1.6 pp -67.55 -36.05 80.22 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.386 -0.821 . . . . 0.0 111.383 177.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -64.75 -50.8 65.46 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.401 0.681 . . . . 0.0 112.088 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -73.67 -28.51 61.79 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -176.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -64.2 -31.29 72.43 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.153 -0.967 . . . . 0.0 112.713 176.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.47 -3.15 45.29 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.322 1.449 . . . . 0.0 114.841 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -127.33 8.64 6.57 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.656 1.582 . . . . 0.0 114.824 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 125.409 1.483 . . . . 0.0 112.888 175.872 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 CA-C-O 119.383 -0.676 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.17 162.51 39.88 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.898 3.065 . . . . 0.0 112.772 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.78 -150.75 7.54 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.13 0.871 . . . . 0.0 112.992 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 m -74.7 -21.95 59.11 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 59.0 175.95 0.07 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.788 2.035 . . . . 0.0 113.959 -171.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -67.4 126.99 31.04 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.042 -1.036 . . . . 0.0 111.72 -177.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.44 152.01 19.66 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.472 1.509 . . . . 0.0 111.606 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.19 16.28 2.94 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.513 2.325 . . . . 0.0 116.899 172.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.45 158.56 85.03 Favored Pre-proline 0 CA--C 1.555 1.158 0 C-N-CA 126.033 1.733 . . . . 0.0 112.683 172.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.31 164.3 26.18 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 123.542 2.828 . . . . 0.0 114.437 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.79 -36.76 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -170.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -65.99 -25.35 67.05 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -82.17 -55.28 4.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.579 0.752 . . . . 0.0 111.326 173.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.18 -34.94 75.87 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.135 -0.978 . . . . 0.0 113.132 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.4 t -66.19 -34.76 78.76 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.793 0.837 . . . . 0.0 112.793 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.43 -40.13 44.48 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.12 -0.987 . . . . 0.0 111.492 172.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.51 -41.15 98.52 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.998 0.919 . . . . 0.0 112.721 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.74 -36.18 83.02 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.28 1.4 . . . . 0.0 112.098 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -71.47 -38.57 71.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.628 0.771 . . . . 0.0 111.905 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.35 -36.99 85.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.058 1.343 . . . . 0.0 112.723 173.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.84 -33.62 74.5 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.034 0.934 . . . . 0.0 112.529 171.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.1 mtm -82.89 -3.05 56.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.145 1.378 . . . . 0.0 114.645 171.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.07 28.45 73.38 Favored Glycine 0 CA--C 1.536 1.397 0 O-C-N 121.031 -1.043 . . . . 0.0 113.699 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -123.5 165.26 17.4 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.887 2.075 . . . . 0.0 112.239 -169.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -135.59 -3.98 2.32 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.532 1.933 . . . . 0.0 113.22 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.41 -125.75 0.62 Allowed Glycine 0 CA--C 1.537 1.451 0 C-N-CA 126.194 1.854 . . . . 0.0 112.86 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.03 -158.51 48.23 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.136 0.874 . . . . 0.0 114.551 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.38 146.55 50.44 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.359 0.98 . . . . 0.0 113.87 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 t -71.77 159.39 34.41 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.51 1.124 . . . . 0.0 112.871 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.27 143.96 32.55 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 124.259 0.933 . . . . 0.0 113.059 175.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.39 -21.97 1.71 Allowed Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.003 1.287 . . . . 0.0 115.249 175.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.35 17.75 77.81 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-N 118.493 1.146 . . . . 0.0 114.853 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.9 t -69.4 163.53 25.01 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.735 1.267 . . . . 0.0 111.814 175.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -36.8 64.6 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.715 1.206 . . . . 0.0 112.053 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.07 -26.95 65.2 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.988 0.915 . . . . 0.0 112.771 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -78.99 -43.5 24.25 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.213 -0.93 . . . . 0.0 111.581 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.91 -38.21 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.665 172.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.74 -31.83 66.85 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.927 1.239 . . . . 0.0 112.721 173.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.6 -60.07 2.52 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.173 0.989 . . . . 0.0 111.944 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -61.44 -42.93 99.52 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.0 0.92 . . . . 0.0 112.999 -173.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.75 -35.97 70.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.36 0.664 . . . . 0.0 112.276 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.16 -37.88 72.21 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.686 0.794 . . . . 0.0 112.319 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -62.03 -44.01 97.61 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.525 1.13 . . . . 0.0 111.43 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -63.25 -42.6 99.2 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.698 0.799 . . . . 0.0 111.943 174.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.85 -36.26 80.69 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.304 1.042 . . . . 0.0 112.525 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -60.2 -36.19 77.11 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.148 -0.97 . . . . 0.0 112.177 175.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -70.38 -36.95 74.44 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.246 -0.908 . . . . 0.0 112.15 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.6 -49.94 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 110.976 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -58.37 -43.54 88.48 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.923 0.889 . . . . 0.0 113.185 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.9 ttp-105 -65.31 -43.39 91.18 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.115 0.566 . . . . 0.0 112.358 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.88 -38.9 79.97 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.565 0.746 . . . . 0.0 112.481 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -61.26 -46.05 91.96 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.272 0.629 . . . . 0.0 111.536 171.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.64 91.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.144 0.578 . . . . 0.0 112.448 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.84 92.37 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.109 -0.995 . . . . 0.0 112.726 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -61.41 -46.67 89.16 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.135 0.974 . . . . 0.0 111.119 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -63.87 -43.75 95.13 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.342 -0.849 . . . . 0.0 112.606 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.75 -41.17 96.12 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.06 0.944 . . . . 0.0 113.312 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 pp -74.54 -36.69 63.14 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.566 0.621 . . . . 0.0 112.056 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.65 -42.37 99.57 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.091 0.86 . . . . 0.0 111.909 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -73.74 -26.56 60.74 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.02 -39.01 63.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.306 0.957 . . . . 0.0 112.469 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -84.54 18.1 2.42 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.558 1.543 . . . . 0.0 114.295 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -74.75 -7.87 54.66 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.259 1.824 . . . . 0.0 113.983 -175.686 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 CA-C-O 119.992 -0.338 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.12 153.04 61.28 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 124.273 3.315 . . . . 0.0 114.415 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 173.35 174.75 40.61 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.697 1.142 . . . . 0.0 113.676 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 86.4 p -144.9 14.36 1.51 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.565 1.546 . . . . 0.0 113.388 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -70.34 162.5 28.45 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.74 1.616 . . . . 0.0 113.183 -174.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -73.6 39.56 0.1 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.89 2.076 . . . . 0.0 114.444 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.92 67.92 1.72 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.696 1.998 . . . . 0.0 113.255 -175.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . 55.53 33.96 22.14 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.558 1.943 . . . . 0.0 114.452 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.2 146.63 83.05 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.128 0.971 . . . . 0.0 112.033 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -71.9 161.88 43.62 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.79 2.327 . . . . 0.0 112.319 -176.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 15.9 tt -62.1 -25.57 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -175.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -61.29 -37.24 82.5 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.736 0.814 . . . . 0.0 112.546 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -75.02 -48.16 25.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.709 0.804 . . . . 0.0 112.169 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.25 -32.63 73.79 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 119.209 0.913 . . . . 0.0 112.442 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 18.5 t -62.2 -49.39 75.97 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.72 0.808 . . . . 0.0 111.58 167.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -33.13 72.5 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.706 -1.246 . . . . 0.0 112.577 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.35 -51.02 61.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.68 1.192 . . . . 0.0 112.094 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.96 -35.33 80.29 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.237 1.381 . . . . 0.0 112.107 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -65.17 -47.26 77.62 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.04 0.936 . . . . 0.0 112.594 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -72.68 -27.09 61.88 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.393 0.997 . . . . 0.0 113.637 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -66.51 -35.62 80.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.6 1.091 . . . . 0.0 112.479 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.7 mtt -73.12 -10.93 60.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.157 0.983 . . . . 0.0 113.241 170.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.56 15.18 79.26 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.935 1.255 . . . . 0.0 113.867 -173.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -83.57 115.39 22.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.516 1.526 . . . . 0.0 111.617 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 56.3 p-10 -84.93 -3.31 58.67 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.575 1.15 . . . . 0.0 113.547 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -80.76 -175.63 49.74 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.318 1.437 . . . . 0.0 114.821 176.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.11 -173.49 46.3 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.724 1.631 . . . . 0.0 113.037 178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -175.22 158.91 26.79 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.011 0.815 . . . . 0.0 113.759 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 80.5 p -77.74 165.61 24.0 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.434 1.494 . . . . 0.0 112.951 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -158.6 161.45 31.78 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.052 1.31 . . . . 0.0 112.76 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -102.37 -0.82 50.5 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.575 1.559 . . . . 0.0 114.762 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.3 13.33 83.7 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.49 1.043 . . . . 0.0 114.454 -171.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 42.3 m -67.6 159.18 30.4 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.023 1.329 . . . . 0.0 112.291 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -33.25 64.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.437 1.095 . . . . 0.0 113.455 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -74.21 -27.47 60.8 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.062 -1.024 . . . . 0.0 113.019 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -71.74 -42.52 67.17 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 120.125 1.329 . . . . 0.0 111.488 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 9.4 tt -65.27 -38.96 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.615 0.766 . . . . 0.0 111.154 171.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -59.63 -46.75 88.07 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.403 1.001 . . . . 0.0 111.467 173.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -64.4 -48.16 76.46 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.988 0.915 . . . . 0.0 112.165 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.25 -48.28 78.89 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.64 -0.662 . . . . 0.0 111.419 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 16.1 tp -77.26 -23.85 51.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.547 0.739 . . . . 0.0 112.661 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.72 85.44 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.014 -1.054 . . . . 0.0 112.217 167.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.85 -46.2 90.5 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.946 1.298 . . . . 0.0 111.532 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 90.3 p -66.08 -42.56 89.19 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.94 -41.76 98.32 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.292 -0.88 . . . . 0.0 112.342 176.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 96.7 m -62.18 -39.59 93.21 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.373 -0.83 . . . . 0.0 111.786 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -68.09 -34.77 77.02 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.92 -52.16 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 118.825 0.738 . . . . 0.0 109.899 171.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -66.32 -36.09 82.05 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.34 1.056 . . . . 0.0 112.775 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -62.05 -46.8 87.54 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.413 1.085 . . . . 0.0 112.288 174.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.58 -40.85 84.83 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.464 0.705 . . . . 0.0 112.075 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.1 -40.89 95.18 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 118.598 0.635 . . . . 0.0 112.636 175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.31 97.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.507 0.723 . . . . 0.0 112.338 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.96 97.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.363 0.665 . . . . 0.0 112.718 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -64.48 -43.75 93.18 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.188 0.995 . . . . 0.0 111.48 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -61.53 -36.48 80.7 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.872 -1.143 . . . . 0.0 113.044 175.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.86 71.31 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.5 pp -88.72 -28.76 20.32 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -61.18 -40.92 95.74 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.633 -1.292 . . . . 0.0 111.68 174.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -78.31 -9.52 59.28 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 176.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -87.84 -44.34 11.16 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.059 0.943 . . . . 0.0 112.277 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -79.11 52.23 1.26 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.232 1.813 . . . . 0.0 113.616 -175.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -144.13 4.75 1.26 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.245 1.818 . . . . 0.0 115.32 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.485 1.279 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.161 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 0 CA-C-O 118.651 -1.083 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.9 159.4 51.88 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.964 3.109 . . . . 0.0 112.189 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.21 21.35 79.79 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.401 1.001 . . . . 0.0 115.004 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.5 p -69.93 -22.57 63.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.743 1.217 . . . . 0.0 114.002 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -76.38 150.11 36.85 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.511 1.525 . . . . 0.0 112.409 173.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -147.42 117.71 7.37 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.826 1.25 . . . . 0.0 110.245 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.93 83.17 1.33 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.923 1.289 . . . . 0.0 111.164 175.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.77 44.92 29.67 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.541 1.536 . . . . 0.0 113.826 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.13 145.07 67.45 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 124.46 1.104 . . . . 0.0 111.863 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -72.46 164.01 36.88 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.253 2.635 . . . . 0.0 112.623 -174.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.1 tt -58.99 -31.33 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.629 1.172 . . . . 0.0 113.654 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.08 -34.45 77.61 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.24 -0.912 . . . . 0.0 112.631 177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -74.35 -50.09 20.14 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.828 0.851 . . . . 0.0 112.208 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.92 -30.01 70.53 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.665 1.12 . . . . 0.0 112.166 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 t -67.99 -33.16 74.1 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.169 0.987 . . . . 0.0 113.193 170.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.67 -34.54 62.72 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 119.985 -1.697 . . . . 0.0 112.558 171.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.55 -42.39 98.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.904 0.882 . . . . 0.0 112.218 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' B' ' 145' ' ' LEU . 2.6 pp -65.92 -39.51 90.59 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.493 1.042 . . . . 0.0 112.537 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -66.66 -42.08 87.16 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.593 0.633 . . . . 0.0 111.104 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -66.05 -36.13 82.39 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -66.03 -33.13 75.11 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.48 1.036 . . . . 0.0 113.214 171.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.4 mtt -76.85 -10.65 59.52 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.538 1.135 . . . . 0.0 113.665 172.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.6 18.7 78.72 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.819 1.199 . . . . 0.0 113.87 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -74.06 130.57 40.07 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.667 1.587 . . . . 0.0 111.268 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.92 -21.44 62.37 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.568 1.147 . . . . 0.0 113.968 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.69 150.19 42.74 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 119.005 0.821 . . . . 0.0 113.741 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.49 157.71 38.62 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.013 1.292 . . . . 0.0 114.624 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.85 150.03 19.67 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.165 0.888 . . . . 0.0 114.096 176.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.5 p -160.85 155.74 24.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.41 1.484 . . . . 0.0 111.609 171.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.99 141.93 31.06 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 123.997 0.808 . . . . 0.0 113.512 172.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.55 -168.05 44.21 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.349 1.452 . . . . 0.0 114.158 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.51 -30.2 0.03 OUTLIER Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.14 0.876 . . . . 0.0 114.943 173.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.0 m -91.8 156.2 17.7 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.224 1.41 . . . . 0.0 111.523 171.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 50.6 tpp -60.55 -30.76 69.97 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.395 -0.816 . . . . 0.0 113.139 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -67.78 -27.37 66.7 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.575 -1.328 . . . . 0.0 113.46 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -68.42 -44.69 74.44 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.784 0.834 . . . . 0.0 110.84 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.1 tt -73.41 -37.99 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.018 0.927 . . . . 0.0 111.698 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -55.74 -48.16 75.71 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.339 0.972 . . . . 0.0 111.319 170.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.35 -46.91 78.3 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.683 0.793 . . . . 0.0 113.089 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.1 mt -62.05 -50.46 71.9 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.203 0.911 . . . . 0.0 112.278 177.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 tp -76.03 -32.78 59.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.339 0.655 . . . . 0.0 112.629 -169.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.84 -30.69 68.24 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -66.21 -43.09 87.71 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.575 1.15 . . . . 0.0 111.828 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.3 m -63.64 -41.68 98.21 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.84 -41.2 95.33 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.929 0.891 . . . . 0.0 112.081 175.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.6 m -61.32 -42.3 98.45 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.445 0.698 . . . . 0.0 111.672 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -67.23 -33.3 75.07 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.395 -0.815 . . . . 0.0 113.194 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.32 -47.69 89.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 121.411 -0.806 . . . . 0.0 110.101 171.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -64.81 -36.16 83.42 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.376 1.071 . . . . 0.0 112.858 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.1 mtp-105 -62.18 -41.26 98.16 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.652 0.781 . . . . 0.0 112.382 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.79 -48.7 70.91 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.263 1.025 . . . . 0.0 111.169 174.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -65.44 -33.27 75.55 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.54 89.41 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 118.998 0.817 . . . . 0.0 112.6 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.43 -43.99 65.7 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.731 0.812 . . . . 0.0 112.485 175.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -64.94 -41.99 95.05 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.21 1.004 . . . . 0.0 111.796 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -64.56 -40.04 94.85 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.836 -1.165 . . . . 0.0 112.571 176.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.37 81.98 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.346 0.659 . . . . 0.0 112.567 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.06 -31.07 67.39 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -62.92 -39.85 95.82 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.625 1.102 . . . . 0.0 111.685 173.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -71.33 -35.48 71.23 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.619 1.168 . . . . 0.0 112.292 175.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.7 -44.68 40.92 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -85.42 -8.4 58.43 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -168.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -77.76 -10.24 59.44 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 . . . . . 0 C--O 1.255 1.389 0 C-N-CA 126.186 1.794 . . . . 0.0 113.336 178.463 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 112.377 -0.289 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.83 -16.31 20.74 Favored 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 123.999 3.133 . . . . 0.0 113.947 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.5 -171.49 39.5 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.797 1.665 . . . . 0.0 111.993 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 50.8 m 52.38 65.57 1.47 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.787 1.635 . . . . 0.0 113.27 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -53.37 144.79 15.69 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.281 1.432 . . . . 0.0 114.579 -171.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -150.32 -169.08 3.29 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.525 2.33 . . . . 0.0 110.742 -174.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . 64.47 -18.87 0.07 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.606 2.362 . . . . 0.0 116.87 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.89 -5.1 47.07 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.152 1.381 . . . . 0.0 114.119 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.51 151.19 21.53 Favored Pre-proline 0 CA--C 1.555 1.173 0 C-N-CA 126.591 1.956 . . . . 0.0 112.884 172.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -62.86 152.14 80.47 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.194 2.596 . . . . 0.0 112.241 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 tt -61.91 -26.93 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -170.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -62.41 -26.4 68.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.661 0.785 . . . . 0.0 112.977 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -80.0 -55.74 4.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.631 0.773 . . . . 0.0 111.188 175.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.34 -34.62 78.76 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.263 0.938 . . . . 0.0 112.731 -176.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 43.4 t -67.28 -34.64 77.84 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.668 1.187 . . . . 0.0 113.315 173.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.95 -38.59 66.71 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.546 -0.721 . . . . 0.0 111.943 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.59 -45.22 91.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.098 0.959 . . . . 0.0 112.488 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.37 -34.91 79.02 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.216 1.371 . . . . 0.0 112.539 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -66.52 -44.89 81.26 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.145 0.578 . . . . 0.0 111.629 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.18 -39.62 90.84 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.836 1.254 . . . . 0.0 112.689 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -63.94 -38.12 89.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.909 0.884 . . . . 0.0 112.58 173.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 70.8 mtm -75.73 -6.49 50.81 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 171.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.72 10.49 86.2 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.908 1.242 . . . . 0.0 115.279 -176.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -80.2 130.62 35.35 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.143 1.377 . . . . 0.0 111.71 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -98.9 -9.45 24.16 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.083 1.353 . . . . 0.0 113.139 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -90.78 -155.64 31.71 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.653 1.597 . . . . 0.0 114.363 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 86.61 -11.58 63.59 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.536 1.541 . . . . 0.0 116.277 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.18 -128.0 46.48 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 118.602 1.201 . . . . 0.0 113.869 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 40.5 t -143.42 139.22 29.84 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.572 1.549 . . . . 0.0 110.744 173.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.47 161.19 49.95 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.72 1.153 . . . . 0.0 114.915 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -94.94 -4.49 61.53 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.877 1.703 . . . . 0.0 113.746 172.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.35 83.21 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.101 1.334 . . . . 0.0 114.319 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 50.3 m -69.52 157.43 37.16 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.108 1.363 . . . . 0.0 112.323 176.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.7 mmt -58.42 -31.03 67.34 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.69 -28.24 65.68 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.13 -0.981 . . . . 0.0 113.198 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -73.17 -49.14 29.82 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.024 -1.047 . . . . 0.0 111.492 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.9 tt -63.59 -41.94 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.029 0.932 . . . . 0.0 112.318 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -61.72 -44.87 96.08 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.74 0.7 . . . . 0.0 111.736 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -65.9 -48.87 70.01 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.567 0.621 . . . . 0.0 112.669 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.42 -46.26 90.85 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.44 -0.788 . . . . 0.0 112.202 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.4 tp -69.88 -36.72 75.69 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.668 0.787 . . . . 0.0 112.323 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.02 81.95 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.196 0.814 . . . . 0.0 113.196 173.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -65.37 -44.62 87.03 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.515 1.052 . . . . 0.0 112.108 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 8.7 t -61.54 -40.01 93.14 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.991 -0.443 . . . . 0.0 111.966 175.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 18' ' ' LEU . 2.4 tm? -63.03 -42.05 99.67 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.142 0.977 . . . . 0.0 112.758 171.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 65.4 m -61.29 -38.32 86.34 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 120.844 -1.16 . . . . 0.0 111.966 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -65.52 -32.53 74.18 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.209 -0.932 . . . . 0.0 113.045 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.76 -51.0 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.516 1.053 . . . . 0.0 109.953 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -59.13 -42.24 90.18 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.138 0.975 . . . . 0.0 111.889 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -64.5 -43.09 95.22 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.884 1.274 . . . . 0.0 112.866 177.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.81 -37.88 79.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.112 0.869 . . . . 0.0 112.618 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -59.32 -46.21 89.2 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.911 0.778 . . . . 0.0 111.41 172.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -62.57 -43.62 98.36 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.986 0.914 . . . . 0.0 112.583 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.42 92.53 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.502 0.721 . . . . 0.0 112.39 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -66.51 -40.84 89.41 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.531 0.732 . . . . 0.0 112.019 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -65.26 -35.46 81.1 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.558 -1.339 . . . . 0.0 112.485 176.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.88 78.53 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.9 pp -81.44 -32.8 32.47 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.13 -43.41 98.45 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.776 1.171 . . . . 0.0 112.847 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -69.54 -13.28 62.25 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -107.67 -2.61 20.0 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.932 1.693 . . . . 0.0 114.104 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.95 4.17 7.29 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 125.978 1.711 . . . . 0.0 114.194 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -75.95 -13.6 60.25 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.027 1.731 . . . . 0.0 114.983 -177.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 35.6 mp0 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 127.469 2.308 . . . . 0.0 113.731 178.555 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.508 0 CA-C-O 119.734 -0.481 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.27 150.77 78.22 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.903 3.069 . . . . 0.0 114.126 -178.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.37 166.67 54.77 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.419 1.009 . . . . 0.0 114.067 176.281 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.7 m -83.66 143.28 30.18 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.108 0.963 . . . . 0.0 111.42 170.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -143.13 159.18 42.78 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.44 1.496 . . . . 0.0 111.878 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 54.91 39.03 31.35 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.745 1.618 . . . . 0.0 113.844 177.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -119.74 127.04 52.47 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.709 1.604 . . . . 0.0 110.877 -174.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.91 31.57 16.12 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.804 2.041 . . . . 0.0 114.745 178.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.32 148.87 92.64 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 124.002 0.921 . . . . 0.0 111.707 174.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.98 164.01 35.5 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.118 2.546 . . . . 0.0 113.141 -171.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.98 -34.0 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -173.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -70.0 -24.95 63.39 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.085 -1.009 . . . . 0.0 112.685 176.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -73.37 -51.05 18.77 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.52 -0.737 . . . . 0.0 111.375 175.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.8 -33.12 75.23 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 120.74 -1.225 . . . . 0.0 112.784 176.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.1 m -69.11 -30.2 68.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 173.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.05 60.88 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.33 -0.857 . . . . 0.0 111.524 168.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.15 -42.88 95.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.802 0.841 . . . . 0.0 112.653 -177.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.09 -38.52 91.37 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.581 1.082 . . . . 0.0 112.702 176.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -68.8 -39.98 79.82 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.485 -0.759 . . . . 0.0 112.839 174.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -61.75 -39.88 93.16 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.471 1.108 . . . . 0.0 112.038 174.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -68.48 -37.27 79.97 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 174.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.3 mtt -64.47 -23.74 67.38 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.199 1.0 . . . . 0.0 113.547 173.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.76 12.43 59.32 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.319 1.438 . . . . 0.0 114.312 -171.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -80.74 160.99 24.76 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.974 1.71 . . . . 0.0 111.956 176.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -70.93 -31.59 68.25 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -162.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.41 167.14 32.03 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 119.367 0.985 . . . . 0.0 115.127 -179.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.39 -163.74 10.27 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.139 1.828 . . . . 0.0 115.931 -175.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.31 168.58 33.14 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.335 1.445 . . . . 0.0 112.987 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -150.4 159.98 44.08 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.202 1.401 . . . . 0.0 112.115 -173.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.88 0.22 87.99 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.185 1.374 . . . . 0.0 115.379 -178.321 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.42 160.97 52.59 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 118.568 1.184 . . . . 0.0 113.855 174.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.68 -9.89 0.05 OUTLIER Glycine 0 CA--C 1.539 1.575 0 N-CA-C 115.881 1.112 . . . . 0.0 115.881 177.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.1 m -72.91 159.94 32.93 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.924 1.362 . . . . 0.0 111.816 173.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -35.84 65.55 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.758 0.823 . . . . 0.0 113.028 -177.437 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -67.34 -30.51 70.35 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.107 0.963 . . . . 0.0 113.168 177.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.16 -43.38 67.64 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.99 0.814 . . . . 0.0 111.013 177.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tt -75.32 -37.95 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 123.547 0.739 . . . . 0.0 111.783 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.65 -36.69 74.52 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.7 1.136 . . . . 0.0 112.1 173.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -70.01 -58.07 4.26 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.864 0.757 . . . . 0.0 112.566 174.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.66 -42.96 98.02 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.425 -0.797 . . . . 0.0 112.942 -174.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 tp -76.63 -23.67 53.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.897 0.879 . . . . 0.0 112.585 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.53 -37.82 50.1 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.243 -0.911 . . . . 0.0 112.783 165.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -65.27 -44.86 86.71 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.269 -0.894 . . . . 0.0 112.082 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.2 p -62.77 -38.63 91.33 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 172.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.82 -40.91 98.86 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.769 -1.207 . . . . 0.0 111.933 170.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.5 m -61.59 -37.09 82.59 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.2 1.0 . . . . 0.0 111.605 176.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.23 -33.6 75.69 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.271 -0.893 . . . . 0.0 113.106 174.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.92 -47.53 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 121.289 -0.882 . . . . 0.0 110.268 171.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -55.55 -47.73 75.89 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.311 1.044 . . . . 0.0 111.814 174.107 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -55.36 -49.68 71.65 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.122 1.769 . . . . 0.0 111.732 178.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.98 -36.37 62.02 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -62.43 -41.31 98.62 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.248 0.931 . . . . 0.0 111.55 172.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.38 95.06 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.559 0.744 . . . . 0.0 112.49 173.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.33 96.16 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.706 0.802 . . . . 0.0 112.637 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -65.57 -40.26 92.58 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.386 1.075 . . . . 0.0 111.295 177.009 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -63.46 -43.68 96.63 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.848 -1.157 . . . . 0.0 112.26 172.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.86 95.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.633 0.773 . . . . 0.0 113.027 -177.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.407 ' CD1' HD11 ' B' ' 158' ' ' LEU . 4.3 pp -76.81 -29.64 56.06 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 175.105 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.59 -42.93 91.12 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.307 -0.871 . . . . 0.0 111.388 177.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -75.96 -15.92 60.08 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 175.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.3 -53.51 6.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.373 1.069 . . . . 0.0 112.808 174.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -73.86 -11.98 60.53 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -171.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -78.7 -2.5 39.59 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 178.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.442 1.497 . . . . 0.0 113.591 177.067 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.32 156.56 40.06 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.948 3.099 . . . . 0.0 114.252 178.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.63 133.01 32.32 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.693 0.663 . . . . 0.0 112.657 176.088 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.9 m -78.1 -16.77 57.7 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 57.57 173.15 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.792 2.037 . . . . 0.0 113.704 -165.109 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -78.16 53.06 1.16 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.618 1.167 . . . . 0.0 112.097 175.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.88 -15.91 46.32 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.072 1.349 . . . . 0.0 114.331 179.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.86 -8.9 59.24 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -172.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' B' ' 109' ' ' LEU . 3.3 pp -58.07 153.92 32.35 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 125.521 1.528 . . . . 0.0 112.119 169.742 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -63.21 157.8 47.76 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.015 2.477 . . . . 0.0 113.769 -172.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.21 -31.01 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 124.371 1.068 . . . . 0.0 113.478 -174.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -67.56 -34.26 76.7 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.586 0.754 . . . . 0.0 112.523 175.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -72.6 -48.4 40.07 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.34 -0.85 . . . . 0.0 111.629 -177.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.8 -32.54 73.18 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.942 -1.098 . . . . 0.0 112.667 175.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 32.4 t -62.57 -48.26 80.23 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.847 0.859 . . . . 0.0 111.178 170.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.19 88.66 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.157 -0.965 . . . . 0.0 112.413 176.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.94 -51.7 65.89 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.155 -0.926 . . . . 0.0 112.807 175.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.86 -33.99 77.1 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.454 1.479 . . . . 0.0 112.751 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -71.58 -36.93 71.05 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.778 0.831 . . . . 0.0 112.524 176.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.96 -40.3 87.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.117 1.367 . . . . 0.0 112.585 171.312 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -65.39 -18.64 65.47 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 173.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 75.5 mtm -103.65 3.9 34.92 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.167 1.787 . . . . 0.0 113.637 172.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.47 26.85 72.41 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.551 1.072 . . . . 0.0 115.742 173.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.19 157.34 34.02 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 118.962 1.381 . . . . 0.0 113.164 179.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 50.2 p-10 -73.56 -5.76 42.29 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.402 1.481 . . . . 0.0 114.485 -178.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 178.64 174.56 44.98 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 126.409 1.956 . . . . 0.0 112.412 178.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -170.27 -168.02 31.52 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.371 0.986 . . . . 0.0 113.802 -178.121 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 84.9 -124.83 6.9 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.873 0.749 . . . . 0.0 111.692 -172.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 41.8 t -63.31 133.45 54.17 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.824 0.85 . . . . 0.0 112.12 -177.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -177.0 -178.35 46.67 Favored Glycine 0 CA--C 1.535 1.338 0 O-C-N 119.083 -2.26 . . . . 0.0 113.854 -2.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -177.46 -177.24 46.17 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.378 1.466 . . . . 0.0 112.606 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -176.73 -6.3 0.02 OUTLIER Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.943 1.537 . . . . 0.0 116.943 -179.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 34.8 p -76.67 165.54 24.62 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.035 1.918 . . . . 0.0 112.334 173.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -33.64 72.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.561 0.745 . . . . 0.0 111.732 170.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -66.95 -38.95 87.08 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.367 -0.833 . . . . 0.0 112.347 174.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -63.18 -47.87 80.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.207 0.912 . . . . 0.0 112.236 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.07 -40.16 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 118.936 -0.554 . . . . 0.0 112.055 175.281 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.72 -44.76 93.61 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.212 0.915 . . . . 0.0 111.795 174.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -62.09 -53.14 59.63 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.004 0.922 . . . . 0.0 112.405 178.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.2 -42.41 84.21 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.965 -0.459 . . . . 0.0 112.015 -175.263 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.6 tp -74.4 -24.34 59.1 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.01 67.51 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.981 -1.075 . . . . 0.0 113.095 166.239 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -66.54 -45.95 77.73 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.921 -1.112 . . . . 0.0 112.394 -177.457 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 73.7 p -61.68 -42.08 98.43 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 171.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.65 -38.79 86.02 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.52 1.128 . . . . 0.0 112.753 175.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 90.5 m -60.86 -40.62 93.62 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.377 -0.827 . . . . 0.0 111.438 173.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -72.7 -34.18 66.96 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.276 -0.89 . . . . 0.0 112.895 177.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.07 -50.72 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 119.224 0.92 . . . . 0.0 109.991 171.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -61.84 -41.06 97.36 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.56 0.744 . . . . 0.0 112.785 177.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -59.5 -46.33 89.13 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.382 1.073 . . . . 0.0 112.489 174.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 -47.5 83.76 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.572 0.749 . . . . 0.0 111.915 176.473 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -64.98 -39.7 93.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.616 0.766 . . . . 0.0 112.325 -179.052 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.38 94.39 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.522 0.729 . . . . 0.0 112.291 174.204 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.79 -44.73 84.83 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.543 -0.723 . . . . 0.0 112.719 177.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.15 -41.14 97.99 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.856 1.262 . . . . 0.0 112.006 177.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -67.82 -46.86 70.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.561 0.744 . . . . 0.0 111.827 174.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.6 98.45 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.227 -0.921 . . . . 0.0 112.64 -175.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' ' 58' ' ' LEU . 3.0 pp -67.04 -36.76 82.79 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.491 0.587 . . . . 0.0 112.12 176.072 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -69.9 -33.55 72.35 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.15 1.341 . . . . 0.0 113.008 179.364 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -74.56 -24.99 59.01 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.12 0.968 . . . . 0.0 112.915 174.498 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -77.46 -43.26 32.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.41 0.684 . . . . 0.0 111.797 168.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -88.77 39.12 0.91 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.573 2.349 . . . . 0.0 112.387 176.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -68.14 -2.08 7.26 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -167.529 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.225 1.81 . . . . 0.0 110.043 162.417 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.526 0 CA-C-O 119.917 -0.379 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.21 149.54 81.62 Favored 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 123.75 2.967 . . . . 0.0 112.429 178.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.2 -168.31 27.14 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.575 1.559 . . . . 0.0 113.18 -175.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -76.82 170.07 17.15 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.873 2.469 . . . . 0.0 113.601 -4.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -137.83 153.67 49.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.779 1.632 . . . . 0.0 111.761 178.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -89.41 10.55 22.14 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.134 1.374 . . . . 0.0 114.005 170.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.56 103.35 9.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.171 2.188 . . . . 0.0 112.494 -173.107 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.64 36.56 21.11 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.059 1.744 . . . . 0.0 114.621 173.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -57.35 151.25 38.89 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 124.851 1.26 . . . . 0.0 112.001 174.062 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.97 160.18 50.57 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.932 2.421 . . . . 0.0 113.009 -173.31 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.06 -31.28 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -171.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -65.56 -30.97 71.78 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.304 -0.872 . . . . 0.0 112.693 176.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -73.07 -53.4 11.18 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.156 -0.965 . . . . 0.0 111.519 177.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.73 -31.85 73.16 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.377 -0.827 . . . . 0.0 112.475 178.111 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -62.9 -57.34 11.15 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.348 1.059 . . . . 0.0 111.677 170.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.53 73.29 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.913 -1.117 . . . . 0.0 113.147 -178.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.67 -46.8 83.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.993 0.815 . . . . 0.0 111.823 176.59 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.33 -33.71 76.33 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.329 0.968 . . . . 0.0 112.211 -179.022 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -69.21 -54.27 15.68 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.57 -0.706 . . . . 0.0 110.677 174.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.95 -42.34 93.86 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.236 1.815 . . . . 0.0 112.603 -176.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -17.04 58.24 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -176.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.2 mtt -84.85 -6.28 59.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.671 1.188 . . . . 0.0 112.814 164.155 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.61 11.94 82.36 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 125.595 1.569 . . . . 0.0 114.843 -177.018 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -83.86 122.25 28.44 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.52 1.528 . . . . 0.0 110.915 177.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -86.41 -7.67 58.26 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.576 1.15 . . . . 0.0 114.003 176.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.94 161.71 42.11 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.725 1.155 . . . . 0.0 113.564 176.083 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.6 -143.16 41.76 Favored Glycine 0 CA--C 1.537 1.41 0 O-C-N 121.878 -0.778 . . . . 0.0 114.317 176.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.25 4.15 71.66 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.382 1.468 . . . . 0.0 115.218 178.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.4 t -95.85 136.63 36.02 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.128 0.971 . . . . 0.0 110.433 167.315 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.43 138.79 49.04 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 123.703 0.668 . . . . 0.0 113.203 -179.318 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.61 132.94 29.79 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 122.107 -0.643 . . . . 0.0 114.09 -172.086 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.55 -43.22 1.26 Allowed Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.337 1.446 . . . . 0.0 113.862 177.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 t -80.8 158.24 25.5 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.667 1.187 . . . . 0.0 112.096 171.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -31.16 66.06 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.719 1.207 . . . . 0.0 112.427 167.732 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -68.28 -38.83 82.1 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.29 -0.881 . . . . 0.0 111.642 174.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -65.82 -46.39 78.8 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.393 -0.817 . . . . 0.0 111.628 -178.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.9 tt -65.85 -41.59 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.708 0.803 . . . . 0.0 111.505 178.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -60.95 -46.1 92.07 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.389 0.995 . . . . 0.0 111.73 173.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -64.86 -48.81 72.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.106 0.962 . . . . 0.0 112.609 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.05 -45.76 92.15 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.99 0.814 . . . . 0.0 111.82 178.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 tp -74.1 -34.99 64.14 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.366 0.666 . . . . 0.0 112.169 -175.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.15 82.67 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.724 0.809 . . . . 0.0 112.863 171.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -58.97 -45.8 89.65 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.495 1.118 . . . . 0.0 111.114 173.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 t -62.11 -48.46 80.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.184 0.994 . . . . 0.0 112.58 175.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.78 -42.55 97.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.014 0.926 . . . . 0.0 112.865 176.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.5 m -60.09 -37.73 80.84 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.46 -0.775 . . . . 0.0 111.502 178.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -70.14 -32.56 70.61 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.34 -50.79 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.368 0.985 . . . . 0.0 109.677 171.759 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -61.36 -41.59 97.31 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.595 1.158 . . . . 0.0 111.954 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -63.5 -42.12 98.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.987 0.915 . . . . 0.0 112.584 175.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.08 -45.72 87.43 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.695 0.798 . . . . 0.0 112.488 175.015 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.16 -42.9 99.7 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 118.933 -0.555 . . . . 0.0 111.974 176.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.87 96.48 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.369 0.668 . . . . 0.0 112.415 175.154 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.49 -45.29 87.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.368 0.667 . . . . 0.0 112.779 178.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.37 -41.3 96.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.442 1.097 . . . . 0.0 111.549 177.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -66.39 -42.53 87.74 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.259 0.624 . . . . 0.0 112.024 176.133 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.1 95.26 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.795 0.838 . . . . 0.0 113.202 -177.043 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.413 HD11 HD11 ' B' ' 158' ' ' LEU . 4.4 pp -69.92 -33.43 72.16 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.731 -0.606 . . . . 0.0 112.491 175.082 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -72.89 -39.34 66.46 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.084 0.856 . . . . 0.0 112.986 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -73.91 -30.71 62.73 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.79 0.723 . . . . 0.0 112.63 176.06 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.19 91.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.834 0.854 . . . . 0.0 112.546 176.146 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -77.38 -3.28 39.38 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -177.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -123.79 7.33 8.75 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.093 1.757 . . . . 0.0 114.378 177.06 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 . . . . . 0 C--O 1.256 1.421 0 C-N-CA 126.004 1.721 . . . . 0.0 113.335 -179.565 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.402 ' N ' ' HH ' ' B' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.479 1.506 0 CA-C-O 119.915 -0.38 . . . . 0.0 112.186 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.83 157.29 55.43 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.274 3.316 . . . . 0.0 113.362 -178.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.87 -178.73 45.72 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.013 1.292 . . . . 0.0 115.085 178.005 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 80.4 p -77.68 163.58 26.06 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.503 1.521 . . . . 0.0 112.607 176.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.402 ' HH ' ' N ' ' B' ' 101' ' ' GLY . 95.9 m-85 -132.81 154.65 50.08 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.777 1.631 . . . . 0.0 111.385 176.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 29.6 t0 55.91 31.01 17.0 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.526 1.53 . . . . 0.0 113.812 -173.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.71 -18.34 59.63 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.464 1.106 . . . . 0.0 113.864 -179.116 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.98 1.28 28.08 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.535 1.534 . . . . 0.0 114.989 -175.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 pp -55.58 151.16 22.24 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 124.957 1.303 . . . . 0.0 112.603 173.505 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -66.01 159.22 50.27 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.148 2.565 . . . . 0.0 112.757 -171.356 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 8.1 tt -60.29 -30.03 45.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -174.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.21 -33.37 75.84 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.597 -0.69 . . . . 0.0 112.401 175.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -77.66 -47.2 19.82 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.602 0.761 . . . . 0.0 111.93 -179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.68 -32.15 73.28 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.656 -1.278 . . . . 0.0 112.445 175.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 27.7 t -59.94 -46.33 89.74 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.967 0.907 . . . . 0.0 112.175 166.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.69 99.49 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.086 -1.009 . . . . 0.0 111.623 176.207 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.12 -46.5 88.78 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.5 0.72 . . . . 0.0 112.462 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.95 -33.68 75.13 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.522 1.51 . . . . 0.0 112.797 177.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -69.8 -38.37 76.61 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.56 0.744 . . . . 0.0 111.872 174.114 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -64.31 -40.67 96.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.076 1.35 . . . . 0.0 112.098 171.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -65.58 -34.25 77.81 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 175.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 70.5 mtm -77.7 -20.72 53.13 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 172.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 66.32 33.29 84.55 Favored Glycine 0 CA--C 1.536 1.395 0 CA-C-N 118.935 0.789 . . . . 0.0 112.616 -163.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -65.18 137.7 57.78 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.591 1.557 . . . . 0.0 112.671 -172.568 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 57.8 p-10 -86.07 -11.18 53.46 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.96 0.904 . . . . 0.0 113.036 172.224 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -72.34 163.42 54.63 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.965 1.269 . . . . 0.0 113.442 170.265 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -171.96 170.15 43.16 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.133 0.873 . . . . 0.0 114.279 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.6 -5.48 45.45 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.912 1.244 . . . . 0.0 115.727 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 15.0 t -77.76 155.45 31.17 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.838 1.255 . . . . 0.0 112.464 176.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 168.35 -140.21 6.08 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.145 1.355 . . . . 0.0 111.244 -175.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -61.33 132.09 47.9 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 117.257 0.528 . . . . 0.0 111.891 170.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 174.59 -140.45 5.38 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 117.663 0.732 . . . . 0.0 114.053 -172.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 36.9 t -64.82 160.66 19.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.389 1.475 . . . . 0.0 112.627 176.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -33.82 53.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.272 1.029 . . . . 0.0 111.898 164.483 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -67.39 -30.17 69.88 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.743 0.817 . . . . 0.0 112.881 176.086 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -77.14 -48.24 18.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.154 0.982 . . . . 0.0 112.011 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.78 -42.02 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.909 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -48.05 80.06 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.868 0.758 . . . . 0.0 112.36 177.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -68.06 -49.45 61.28 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.815 -0.553 . . . . 0.0 111.784 178.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 26.6 tp -66.99 -41.39 86.82 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.622 -0.674 . . . . 0.0 112.808 -173.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 27.7 tp -69.93 -37.26 75.84 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.869 0.868 . . . . 0.0 112.652 176.068 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.07 -39.08 86.77 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 175.18 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -62.91 -46.58 87.16 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.289 0.949 . . . . 0.0 111.655 175.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 23.1 t -58.19 -47.11 84.44 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.6 -41.9 98.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.957 0.903 . . . . 0.0 112.303 177.434 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 93.2 m -63.07 -36.73 84.55 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.333 -0.854 . . . . 0.0 112.111 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -64.39 -33.32 75.58 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.236 -0.915 . . . . 0.0 113.087 177.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.82 -47.68 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 121.157 -0.965 . . . . 0.0 110.281 173.222 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.36 -32.22 73.01 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.579 1.152 . . . . 0.0 113.005 -175.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -60.19 -46.34 90.04 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.764 0.826 . . . . 0.0 111.927 170.059 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 -39.59 72.51 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 178.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -59.32 -43.62 92.66 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.335 0.97 . . . . 0.0 111.828 172.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.59 94.35 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.474 0.71 . . . . 0.0 112.707 176.299 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.77 -42.68 97.75 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.696 0.68 . . . . 0.0 112.819 175.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.61 -44.22 91.28 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.914 0.886 . . . . 0.0 111.092 176.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -63.39 -36.35 83.44 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.077 -1.014 . . . . 0.0 112.566 175.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -71.29 -43.35 67.32 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.068 0.947 . . . . 0.0 113.348 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . 0.413 HD11 HD11 ' A' ' 58' ' ' LEU . 3.7 pp -71.96 -34.89 69.35 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.015 0.825 . . . . 0.0 112.678 177.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -64.71 -40.75 95.89 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.878 0.763 . . . . 0.0 112.17 -178.213 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.36 -12.75 60.02 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 176.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -89.03 -45.91 9.26 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.792 1.237 . . . . 0.0 112.829 175.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 46.1 mtt-85 -71.22 -9.99 59.01 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -173.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -72.81 -8.99 58.12 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.981 1.712 . . . . 0.0 114.979 175.079 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 . . . . . 0 C--O 1.255 1.351 0 C-N-CA 125.935 1.694 . . . . 0.0 113.52 -179.769 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -64.46 156.06 62.59 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 124.239 3.292 . . . . 0.0 112.973 178.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.21 9.76 84.2 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.2 0.905 . . . . 0.0 115.219 -177.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.5 t -144.64 130.68 19.41 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.485 1.514 . . . . 0.0 110.574 176.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -145.68 167.62 22.68 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.571 1.549 . . . . 0.0 111.886 -166.255 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -74.53 83.82 2.02 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.761 1.224 . . . . 0.0 111.399 177.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.41 136.26 22.11 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.751 1.62 . . . . 0.0 110.433 177.112 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 56.47 25.34 9.57 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.953 1.701 . . . . 0.0 114.599 -178.02 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.7 156.89 76.89 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 125.537 1.535 . . . . 0.0 111.948 172.198 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -62.24 154.49 62.81 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.168 2.578 . . . . 0.0 113.633 -173.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.3 tt -70.28 -27.14 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -164.164 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -69.55 -29.75 67.4 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.684 -0.635 . . . . 0.0 112.26 173.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -71.71 -52.06 19.73 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.016 0.927 . . . . 0.0 111.733 178.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.46 -34.38 78.16 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.542 -0.724 . . . . 0.0 112.23 177.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.2 t -62.31 -42.82 99.68 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.401 1.08 . . . . 0.0 112.524 169.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.38 95.18 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.001 -1.062 . . . . 0.0 111.873 174.378 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.61 -45.48 92.7 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 112.637 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.47 -35.05 78.42 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 120.141 1.337 . . . . 0.0 112.603 178.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -64.99 -46.37 81.73 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.653 0.781 . . . . 0.0 111.614 172.188 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -64.73 -33.1 75.17 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.225 1.01 . . . . 0.0 112.644 178.166 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -60.74 -37.76 82.84 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.195 0.907 . . . . 0.0 112.962 171.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 55.6 mtm -87.46 4.26 44.01 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.99 1.316 . . . . 0.0 114.176 173.012 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.31 15.15 76.95 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.6 1.095 . . . . 0.0 115.527 179.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -71.11 109.65 5.31 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.555 1.178 . . . . 0.0 111.024 176.202 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -72.87 -7.93 53.2 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.43 1.492 . . . . 0.0 114.395 -179.144 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.09 -23.01 71.1 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.211 0.91 . . . . 0.0 115.142 179.396 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.08 171.68 21.32 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.872 1.225 . . . . 0.0 115.241 177.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.36 132.46 52.57 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.247 0.927 . . . . 0.0 114.309 -171.112 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 p -107.55 -27.6 10.28 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.824 1.65 . . . . 0.0 112.709 179.343 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.85 -178.94 28.13 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.521 1.058 . . . . 0.0 114.261 -177.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.41 172.36 53.73 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.557 1.075 . . . . 0.0 113.927 178.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.2 -113.74 0.47 Allowed Glycine 0 CA--C 1.532 1.148 0 C-N-CA 123.973 0.796 . . . . 0.0 113.011 -179.181 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.2 t -66.9 163.55 19.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.529 1.131 . . . . 0.0 112.074 174.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -33.95 56.07 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.654 1.182 . . . . 0.0 112.012 169.393 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.55 -32.84 74.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.628 0.771 . . . . 0.0 112.994 176.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -73.85 -46.18 46.57 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.595 0.758 . . . . 0.0 111.617 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 tt -65.7 -40.97 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.89 176.245 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -59.34 -45.48 91.27 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.773 1.169 . . . . 0.0 111.806 175.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -64.91 -51.59 61.06 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.68 -42.34 95.41 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.935 0.788 . . . . 0.0 112.897 -178.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 tp -77.15 -24.29 51.57 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -177.052 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.81 -38.34 62.11 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.331 -0.855 . . . . 0.0 113.033 164.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -57.98 -53.32 59.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.97 1.308 . . . . 0.0 112.381 178.221 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.9 p -64.01 -39.08 93.3 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.134 0.573 . . . . 0.0 112.177 177.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.94 -40.3 95.07 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.137 0.975 . . . . 0.0 112.32 174.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.1 m -61.52 -41.94 98.07 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.265 -0.897 . . . . 0.0 111.62 175.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.45 -34.18 76.67 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.44 -0.787 . . . . 0.0 113.047 177.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.8 mt -58.44 -49.9 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 119.228 0.922 . . . . 0.0 109.554 169.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -60.43 -38.14 83.15 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.844 -179.265 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -62.59 -53.43 54.74 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.451 1.023 . . . . 0.0 112.009 173.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.47 -34.99 63.28 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -171.192 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -60.9 -46.86 88.95 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.119 0.872 . . . . 0.0 111.542 171.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.77 97.93 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.228 0.611 . . . . 0.0 111.975 177.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.69 86.24 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.821 0.737 . . . . 0.0 112.435 178.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -62.4 -41.14 98.45 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.363 1.065 . . . . 0.0 111.669 178.341 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -67.08 -48.0 69.52 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.755 0.822 . . . . 0.0 112.464 175.394 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.66 94.57 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.11 0.964 . . . . 0.0 113.44 -173.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 pp -69.96 -38.95 76.26 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.428 0.558 . . . . 0.0 111.624 176.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -68.75 -38.73 80.32 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.878 -1.138 . . . . 0.0 112.723 -177.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -72.22 -15.31 61.93 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 175.02 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.65 -49.63 6.0 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 113.391 175.642 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -74.01 -8.66 56.94 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.561 1.544 . . . . 0.0 114.684 -171.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -69.61 -13.83 62.52 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.114 1.766 . . . . 0.0 115.733 178.157 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.773 1.629 . . . . 0.0 112.881 -179.255 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 CA-C-O 119.534 -0.592 . . . . 0.0 112.069 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -60.01 156.71 37.64 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 124.443 3.429 . . . . 0.0 114.326 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.9 17.6 80.18 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.244 0.926 . . . . 0.0 114.9 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 62.5 p -67.12 -24.33 65.91 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.448 1.499 . . . . 0.0 114.143 -177.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -143.12 144.79 32.36 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.463 1.505 . . . . 0.0 111.71 176.555 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -101.09 11.35 39.69 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.382 1.473 . . . . 0.0 113.827 174.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -137.94 5.18 2.57 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.036 1.734 . . . . 0.0 113.981 -175.115 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -135.1 26.77 3.54 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.847 2.059 . . . . 0.0 111.801 175.264 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.43 153.8 75.03 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 126.452 1.901 . . . . 0.0 112.638 -179.335 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -63.31 155.67 60.51 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.021 2.481 . . . . 0.0 113.148 -173.554 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.3 tt -63.86 -30.0 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -173.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -63.81 -35.25 80.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.232 0.613 . . . . 0.0 112.148 175.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -71.68 -52.15 19.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.201 1.001 . . . . 0.0 111.612 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.04 -32.0 73.22 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.822 0.737 . . . . 0.0 112.365 178.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t -65.99 -37.8 86.87 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.281 1.033 . . . . 0.0 112.713 173.102 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.43 72.02 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.589 -0.694 . . . . 0.0 112.088 171.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.02 -41.68 97.35 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.351 1.06 . . . . 0.0 113.139 -178.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.82 -34.78 78.95 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.742 1.61 . . . . 0.0 112.145 178.055 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -70.4 -40.39 73.91 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.142 0.977 . . . . 0.0 111.426 175.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -64.78 -41.43 95.84 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.3 1.44 . . . . 0.0 112.438 175.05 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -65.57 -30.82 71.61 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.379 -0.826 . . . . 0.0 112.54 173.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 69.3 mtm -85.82 14.39 6.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.949 1.3 . . . . 0.0 113.88 169.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.25 3.71 84.5 Favored Glycine 0 CA--C 1.537 1.424 0 N-CA-C 116.858 1.503 . . . . 0.0 116.858 167.017 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -77.59 165.88 23.74 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 119.383 1.592 . . . . 0.0 112.436 174.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -76.18 47.07 0.43 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.057 1.743 . . . . 0.0 112.48 174.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.39 -136.04 26.09 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.831 1.205 . . . . 0.0 112.329 -172.493 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -164.94 -144.54 4.09 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.464 1.03 . . . . 0.0 112.83 -178.242 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -132.64 -147.77 5.88 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.764 1.65 . . . . 0.0 112.493 175.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 37.6 m -63.67 151.36 42.05 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.133 0.973 . . . . 0.0 112.721 177.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.87 162.29 45.85 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.198 0.904 . . . . 0.0 114.754 -179.443 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -70.8 162.12 53.86 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.493 1.045 . . . . 0.0 114.881 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -147.09 -28.18 0.08 OUTLIER Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.701 1.143 . . . . 0.0 115.256 178.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 41.9 t -75.24 152.61 38.29 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.507 1.153 . . . . 0.0 111.547 169.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 4.4 mmt -57.69 -29.61 64.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.261 0.624 . . . . 0.0 112.533 168.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.64 -39.58 88.32 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.4 -0.812 . . . . 0.0 112.204 172.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -63.82 -50.56 68.44 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 118.397 0.544 . . . . 0.0 111.595 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 17.3 tt -66.08 -41.42 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.362 0.665 . . . . 0.0 112.114 -178.33 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -62.76 -38.59 91.16 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.164 0.893 . . . . 0.0 112.308 175.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -69.04 -56.55 7.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.458 0.703 . . . . 0.0 112.279 176.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.6 -44.4 90.73 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.618 0.767 . . . . 0.0 112.232 -174.47 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.57 -34.38 72.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.017 0.527 . . . . 0.0 112.017 -177.299 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.74 73.59 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 170.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -61.25 -47.58 85.39 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.211 -0.93 . . . . 0.0 111.555 176.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 69.0 m -61.17 -42.48 98.64 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.57 -38.7 88.48 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.527 -0.733 . . . . 0.0 112.726 176.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 94.9 m -63.08 -39.22 94.08 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.211 -0.931 . . . . 0.0 112.052 175.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -67.55 -34.49 77.19 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.997 -1.064 . . . . 0.0 113.153 178.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 81.6 mt -59.25 -50.58 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.688 -0.632 . . . . 0.0 109.865 172.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.14 -38.25 90.02 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.89 0.876 . . . . 0.0 112.344 -179.105 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 45.5 ttm180 -58.25 -47.66 82.86 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.746 1.218 . . . . 0.0 112.149 175.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.83 -42.94 80.68 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.326 0.651 . . . . 0.0 112.216 177.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -65.52 -38.64 90.28 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.61 97.18 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.232 0.613 . . . . 0.0 111.987 174.642 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.51 87.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.377 0.671 . . . . 0.0 112.132 176.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -63.82 -43.27 96.73 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.96 0.904 . . . . 0.0 111.676 178.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -63.49 -43.11 98.21 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.562 -1.336 . . . . 0.0 112.496 175.116 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.6 84.88 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -179.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.55 -33.81 35.94 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.493 0.588 . . . . 0.0 112.579 175.228 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.34 -29.51 69.72 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.29 1.405 . . . . 0.0 113.325 -177.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -79.2 -12.96 59.97 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.258 1.023 . . . . 0.0 113.478 170.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -99.49 -37.16 9.3 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.82 1.248 . . . . 0.0 113.305 -178.154 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -65.09 -18.49 65.35 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -179.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -86.55 -6.51 58.87 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 -178.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 . . . . . 0 C--O 1.256 1.44 0 C-N-CA 125.271 1.428 . . . . 0.0 113.49 -179.421 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 CA-C-O 120.105 -0.275 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.02 157.23 62.7 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 124.034 3.156 . . . . 0.0 113.03 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.0 176.5 46.5 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.311 0.958 . . . . 0.0 113.97 173.249 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.3 m -61.66 139.46 58.29 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.277 1.031 . . . . 0.0 112.542 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -73.46 158.82 34.22 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.75 1.22 . . . . 0.0 113.372 -177.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -78.92 43.14 0.49 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.924 1.69 . . . . 0.0 113.059 -178.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.27 74.9 3.07 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.124 1.769 . . . . 0.0 113.497 -169.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 52.72 37.85 24.76 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.633 1.973 . . . . 0.0 114.277 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 pp -60.37 150.07 74.35 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 125.054 1.342 . . . . 0.0 112.35 177.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.22 163.8 37.32 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.125 2.55 . . . . 0.0 113.454 -172.262 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.8 tt -61.12 -31.55 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.005 0.922 . . . . 0.0 113.483 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -64.56 -33.8 76.77 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.824 0.85 . . . . 0.0 112.222 175.031 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -75.2 -51.78 12.54 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.874 0.87 . . . . 0.0 111.541 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.06 -31.1 72.15 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.289 -0.882 . . . . 0.0 112.789 178.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.1 t -68.53 -34.29 75.61 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.91 0.884 . . . . 0.0 112.974 171.645 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.17 -32.87 65.11 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.536 -1.352 . . . . 0.0 113.004 170.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.67 -45.3 87.27 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.988 -1.07 . . . . 0.0 111.837 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.37 -35.54 81.26 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.052 1.296 . . . . 0.0 112.587 177.275 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -65.06 -45.23 86.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.782 0.833 . . . . 0.0 111.346 173.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -66.08 -32.44 73.9 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.632 0.773 . . . . 0.0 112.851 176.322 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -68.07 -31.04 70.39 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.738 -1.226 . . . . 0.0 113.339 170.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.8 mtt -80.24 -9.29 59.72 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.004 1.321 . . . . 0.0 113.594 171.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.99 10.67 78.17 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.062 1.315 . . . . 0.0 114.972 -178.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -72.87 158.02 36.33 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.059 1.344 . . . . 0.0 112.042 171.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -70.97 -0.55 9.57 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.432 1.493 . . . . 0.0 114.67 177.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.54 42.14 8.62 Favored Glycine 0 CA--C 1.535 1.334 0 O-C-N 121.116 -0.99 . . . . 0.0 112.583 -172.437 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.32 -163.93 10.36 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.511 1.529 . . . . 0.0 115.501 -176.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.66 166.31 41.83 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.026 1.298 . . . . 0.0 114.863 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.9 p -157.64 169.33 24.9 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.805 1.642 . . . . 0.0 111.861 -179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.43 -115.92 5.9 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 123.882 0.753 . . . . 0.0 112.48 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.17 174.34 42.17 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 124.556 1.074 . . . . 0.0 114.466 -179.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.85 -11.94 70.79 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.95 1.262 . . . . 0.0 116.204 174.691 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.5 t -82.11 160.02 23.24 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.808 1.804 . . . . 0.0 111.893 169.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -37.76 75.06 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.284 1.034 . . . . 0.0 112.394 175.597 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.43 -33.23 75.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.273 0.629 . . . . 0.0 112.554 176.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -74.06 -48.58 28.92 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.848 0.859 . . . . 0.0 111.584 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 tt -63.71 -39.76 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 121.722 -0.611 . . . . 0.0 112.03 176.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -58.61 -35.86 73.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.241 0.928 . . . . 0.0 112.181 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.59 -55.17 6.2 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.542 0.737 . . . . 0.0 112.14 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.6 -45.49 92.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.248 0.619 . . . . 0.0 112.404 -174.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.5 tp -72.01 -34.68 69.06 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.229 0.612 . . . . 0.0 111.904 -176.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.46 75.81 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 172.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -64.87 -42.94 94.43 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.214 -0.929 . . . . 0.0 111.979 175.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.7 t -60.33 -44.45 95.48 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.433 0.693 . . . . 0.0 112.214 172.092 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.65 -39.34 91.0 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.144 0.978 . . . . 0.0 112.74 174.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.6 m -61.54 -39.31 90.63 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.715 -1.241 . . . . 0.0 111.954 175.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -68.76 -27.95 66.36 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.791 0.836 . . . . 0.0 112.932 177.568 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.08 -55.1 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 120.579 -1.326 . . . . 0.0 109.94 168.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -62.19 -36.86 83.2 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.086 0.954 . . . . 0.0 112.448 -175.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -56.11 -51.67 67.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.607 1.563 . . . . 0.0 112.212 172.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.87 -36.59 72.86 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.485 0.714 . . . . 0.0 112.47 -178.531 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.95 -43.46 95.77 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.642 0.655 . . . . 0.0 112.654 173.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.53 98.99 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.517 0.599 . . . . 0.0 111.738 175.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.21 85.49 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 175.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -61.04 -46.15 91.89 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.744 1.218 . . . . 0.0 111.463 177.436 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -62.42 -45.3 93.73 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.74 0.816 . . . . 0.0 112.447 176.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.15 76.39 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.547 0.739 . . . . 0.0 112.828 -177.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.407 HD11 ' CD1' ' B' ' 158' ' ' LEU . 3.6 pp -66.72 -33.84 76.53 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.041 0.837 . . . . 0.0 111.938 177.592 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.79 -40.66 79.5 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.61 1.096 . . . . 0.0 111.798 175.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -68.6 -31.94 71.47 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.407 -0.808 . . . . 0.0 112.375 175.148 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.01 -12.6 61.3 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 171.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -135.08 40.83 2.87 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.294 2.238 . . . . 0.0 110.86 -174.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -75.43 41.27 0.18 Allowed 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -164.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 127.082 2.153 . . . . 0.0 113.445 179.268 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 CA-C-O 118.642 -1.088 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -62.12 169.4 7.73 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.983 3.122 . . . . 0.0 114.379 176.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.57 7.22 67.12 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 116.382 1.313 . . . . 0.0 116.382 172.405 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.7 m -54.13 143.03 23.61 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.557 1.179 . . . . 0.0 112.314 175.26 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 57.17 12.04 1.21 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.207 1.803 . . . . 0.0 115.023 -178.164 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 55.12 26.84 8.7 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.226 1.81 . . . . 0.0 113.902 -166.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -142.11 -18.51 0.73 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -172.705 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.45 -14.66 58.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.459 1.103 . . . . 0.0 113.84 175.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' B' ' 109' ' ' LEU . 1.5 pp -58.43 153.03 40.93 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 125.24 1.416 . . . . 0.0 111.446 158.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -64.53 158.39 50.0 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.737 2.291 . . . . 0.0 112.448 -176.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 10.1 tp -57.71 -30.85 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.216 1.007 . . . . 0.0 113.331 -176.319 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -61.26 -32.11 71.93 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.751 1.22 . . . . 0.0 113.16 176.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -78.89 -54.91 5.57 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.241 1.016 . . . . 0.0 111.956 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.09 -30.06 71.15 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.112 -0.992 . . . . 0.0 112.541 179.038 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 23.2 t -70.98 -32.6 69.48 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 171.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.87 -36.49 75.54 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.886 1.221 . . . . 0.0 112.756 170.604 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.58 -44.56 93.3 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.854 0.862 . . . . 0.0 112.021 -179.262 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.15 -29.05 67.0 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.633 1.106 . . . . 0.0 113.368 178.121 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -67.66 -50.89 55.54 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.844 0.858 . . . . 0.0 110.858 175.234 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -72.98 -21.8 60.79 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -60.48 -35.97 77.18 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.898 -1.126 . . . . 0.0 112.174 165.012 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 67.7 mtm -90.03 12.78 16.64 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.499 1.52 . . . . 0.0 113.457 171.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.97 3.1 87.87 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.434 1.492 . . . . 0.0 116.233 175.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -82.6 111.23 18.39 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.133 1.466 . . . . 0.0 111.332 175.423 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -75.82 -6.04 48.8 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.092 1.357 . . . . 0.0 114.055 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -75.2 62.86 2.56 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 125.583 1.563 . . . . 0.0 114.475 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.38 179.19 43.44 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 125.564 1.554 . . . . 0.0 114.313 174.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.25 159.8 20.49 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.921 1.248 . . . . 0.0 113.874 -176.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 42.9 m 53.72 84.35 0.06 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.38 1.472 . . . . 0.0 113.062 -174.645 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.69 -162.26 9.14 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.819 1.2 . . . . 0.0 114.543 178.141 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.25 164.23 37.3 Favored Glycine 0 CA--C 1.538 1.476 0 O-C-N 121.821 -0.811 . . . . 0.0 114.039 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.96 -78.17 0.03 OUTLIER Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.284 0.945 . . . . 0.0 112.909 -176.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 54.8 p -76.8 167.77 21.25 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 121.502 0.668 . . . . 0.0 111.925 175.408 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -28.54 67.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.61 0.764 . . . . 0.0 112.971 175.517 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -74.36 -29.12 61.43 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.653 1.181 . . . . 0.0 112.779 176.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -75.97 -44.06 41.63 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.101 -0.999 . . . . 0.0 112.31 179.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.81 -38.94 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.848 0.859 . . . . 0.0 112.211 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -56.06 -44.64 79.1 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.928 0.785 . . . . 0.0 111.509 177.423 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -66.76 -51.88 50.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.759 0.824 . . . . 0.0 111.6 -179.18 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.29 -45.83 89.57 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.847 0.859 . . . . 0.0 112.383 -177.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 19.3 tp -73.13 -34.41 66.09 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.257 0.623 . . . . 0.0 111.716 -174.62 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.42 -40.01 77.52 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.645 0.778 . . . . 0.0 112.762 170.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -62.16 -43.09 99.61 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.25 -0.907 . . . . 0.0 111.847 175.035 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 26.7 t -63.3 -45.52 91.01 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.618 0.767 . . . . 0.0 112.073 175.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.63 -40.76 93.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.734 1.213 . . . . 0.0 112.862 175.139 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 80.4 m -60.39 -39.23 86.55 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.566 0.746 . . . . 0.0 112.328 179.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.75 -31.52 72.21 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.424 -0.798 . . . . 0.0 112.807 177.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.5 -51.84 68.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 O-C-N 120.971 -1.081 . . . . 0.0 110.027 173.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.26 -41.33 96.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.487 1.115 . . . . 0.0 112.08 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -59.04 -48.66 80.79 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.283 1.433 . . . . 0.0 112.313 176.271 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.6 -34.25 69.7 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 179.42 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.39 -41.56 98.76 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.033 0.833 . . . . 0.0 112.481 171.26 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.36 99.26 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.38 0.672 . . . . 0.0 112.109 175.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.89 95.63 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.551 0.741 . . . . 0.0 112.284 174.38 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.05 -42.76 99.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.512 1.125 . . . . 0.0 111.477 177.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -63.58 -39.71 95.08 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.158 -0.964 . . . . 0.0 112.549 175.592 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.73 90.19 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . 0.407 ' CD1' HD11 ' A' ' 58' ' ' LEU . 4.6 pp -73.99 -27.68 61.09 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 176.611 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -61.21 -34.12 74.59 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.171 1.35 . . . . 0.0 111.599 175.625 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -70.4 -25.98 63.48 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.495 1.118 . . . . 0.0 113.245 175.07 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -82.6 -40.04 21.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.442 1.097 . . . . 0.0 112.661 173.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -76.99 -16.27 59.38 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 -173.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 38.6 ptt85 -73.55 -14.21 61.17 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 178.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 . . . . . 0 N--CA 1.483 1.185 0 C-N-CA 127.579 2.352 . . . . 0.0 112.825 -173.879 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 CA-C-O 119.784 -0.454 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.93 153.24 69.86 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.384 3.389 . . . . 0.0 113.824 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.2 151.85 20.96 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.18 0.895 . . . . 0.0 113.003 177.727 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -157.02 164.3 38.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.033 1.733 . . . . 0.0 111.236 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -61.76 142.91 56.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.333 1.053 . . . . 0.0 113.01 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -148.8 164.52 34.19 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.839 1.655 . . . . 0.0 111.733 175.729 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.04 37.26 0.7 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.828 1.251 . . . . 0.0 112.29 -173.824 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 55.13 35.58 25.09 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.835 1.654 . . . . 0.0 113.84 -174.424 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.47 148.65 93.39 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 125.269 1.428 . . . . 0.0 112.925 -178.56 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.08 165.47 32.28 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.333 2.689 . . . . 0.0 113.472 -172.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 tp -59.79 -31.71 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.73 0.812 . . . . 0.0 112.886 178.42 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -64.66 -39.03 92.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.037 0.935 . . . . 0.0 112.796 175.625 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -70.57 -49.63 45.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.545 0.738 . . . . 0.0 111.659 -176.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.08 -32.36 73.77 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.313 -0.867 . . . . 0.0 112.507 176.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.5 m -67.87 -38.87 83.63 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.393 0.677 . . . . 0.0 112.458 172.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.24 79.63 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.888 -1.133 . . . . 0.0 112.393 172.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.17 -50.46 65.86 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.753 1.221 . . . . 0.0 112.103 175.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.85 -34.92 79.26 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.533 1.061 . . . . 0.0 112.893 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -68.21 -45.07 74.35 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.651 -0.656 . . . . 0.0 112.009 177.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.76 -29.74 64.83 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.023 0.828 . . . . 0.0 112.914 177.232 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.77 -33.19 75.29 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.904 -1.123 . . . . 0.0 112.432 169.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.7 mtm -82.21 9.66 8.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.573 1.149 . . . . 0.0 113.959 170.07 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.92 15.04 81.33 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.748 1.166 . . . . 0.0 115.875 171.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -64.84 139.59 58.78 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 118.873 1.337 . . . . 0.0 111.75 175.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.19 -10.12 59.22 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.355 1.462 . . . . 0.0 114.151 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.69 -154.76 7.51 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.931 1.729 . . . . 0.0 111.911 176.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.41 138.87 5.11 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 123.724 0.678 . . . . 0.0 113.591 174.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.84 179.08 51.23 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.992 1.282 . . . . 0.0 113.696 174.137 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 t -64.87 145.77 55.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.086 0.954 . . . . 0.0 112.273 173.522 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.01 126.51 10.41 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.15 0.881 . . . . 0.0 112.052 175.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.07 173.09 53.01 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.038 0.828 . . . . 0.0 115.068 -175.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.07 -147.34 18.09 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 127.531 2.491 . . . . 0.0 112.764 -3.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 t -66.43 163.26 18.73 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.494 1.118 . . . . 0.0 111.127 167.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.9 mmt -53.69 -32.74 53.01 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.236 1.014 . . . . 0.0 112.741 170.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.89 -31.09 72.16 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.044 0.938 . . . . 0.0 113.443 172.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -79.97 -47.91 14.22 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.223 1.009 . . . . 0.0 112.335 -178.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.4 tt -62.09 -37.35 78.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.004 174.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.52 -46.01 84.33 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.563 1.074 . . . . 0.0 111.548 174.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -66.68 -54.65 20.89 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.627 0.649 . . . . 0.0 112.076 178.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.56 -44.09 97.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.89 0.876 . . . . 0.0 111.898 -174.261 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.1 tp -76.29 -25.88 55.33 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -176.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -36.15 59.11 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.301 -0.874 . . . . 0.0 112.766 169.423 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -61.98 -51.32 68.54 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.359 1.064 . . . . 0.0 111.734 -179.331 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -62.96 -37.0 85.34 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.588 0.755 . . . . 0.0 112.888 175.519 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' B' ' 118' ' ' LEU . 1.9 tm? -60.93 -42.6 98.46 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.087 -1.008 . . . . 0.0 112.265 172.392 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.2 m -59.42 -38.68 81.24 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.463 -0.773 . . . . 0.0 112.013 178.378 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.91 -34.44 77.78 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.946 -1.096 . . . . 0.0 113.053 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.87 -46.51 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.313 -0.867 . . . . 0.0 110.015 172.711 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.06 -39.51 94.23 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.502 1.121 . . . . 0.0 112.062 179.267 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -62.92 -46.55 87.25 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.157 0.89 . . . . 0.0 112.515 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.43 -38.04 83.93 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.338 0.517 . . . . 0.0 112.068 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -64.71 -40.16 94.88 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 173.009 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.14 97.45 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.296 0.639 . . . . 0.0 112.174 174.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.49 94.93 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.615 0.766 . . . . 0.0 112.218 175.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -63.57 -43.51 96.82 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.954 0.902 . . . . 0.0 111.257 174.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -62.03 -41.83 98.52 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.699 -1.251 . . . . 0.0 112.515 175.151 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.21 93.52 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.45 1.1 . . . . 0.0 113.694 -177.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 pp -76.93 -38.67 52.95 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.018 0.826 . . . . 0.0 111.644 173.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.37 -41.58 96.62 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.078 -1.014 . . . . 0.0 112.519 -179.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -10.14 59.32 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 177.723 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.96 -46.28 5.97 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.188 1.395 . . . . 0.0 112.631 173.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -75.93 -6.27 50.11 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -175.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -71.62 -8.8 56.34 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.271 1.829 . . . . 0.0 115.279 173.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 . . . . . 0 C--O 1.255 1.359 0 C-N-CA 125.513 1.525 . . . . 0.0 113.398 -178.032 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.438 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -68.48 148.91 74.06 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.276 2.65 . . . . 0.0 111.085 173.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.05 9.16 79.87 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 115.744 1.058 . . . . 0.0 115.744 178.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 73.2 p -137.36 116.94 12.93 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.315 1.446 . . . . 0.0 110.717 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -143.39 159.64 42.01 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.937 1.295 . . . . 0.0 111.99 -169.525 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -75.37 14.92 0.51 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -176.654 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.25 -23.96 59.22 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.116 1.767 . . . . 0.0 113.689 169.299 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.49 10.08 7.96 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -174.355 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.21 155.46 17.47 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 125.474 1.509 . . . . 0.0 112.624 172.244 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -64.68 164.94 22.19 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.33 2.686 . . . . 0.0 114.155 -172.012 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 18.7 tt -64.16 -32.33 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -168.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -65.66 -35.24 80.22 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.064 -1.023 . . . . 0.0 112.018 172.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -76.14 -42.69 45.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.035 0.934 . . . . 0.0 112.581 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.76 -30.9 70.47 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 121.038 1.744 . . . . 0.0 111.978 176.007 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 44.7 t -66.35 -41.48 89.49 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.484 0.713 . . . . 0.0 112.087 168.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.04 89.09 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.942 -1.099 . . . . 0.0 112.291 173.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.82 -46.29 75.62 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.832 1.253 . . . . 0.0 112.624 179.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 45' ' ' LEU . 1.9 pp -65.31 -34.37 78.18 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.869 1.213 . . . . 0.0 111.231 177.531 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -67.4 -39.05 85.54 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.781 0.832 . . . . 0.0 112.545 171.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -64.97 -34.96 79.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.82 1.248 . . . . 0.0 112.3 176.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -61.8 -26.34 68.04 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.223 -0.923 . . . . 0.0 113.344 170.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 38.5 mtt -95.93 -1.42 49.24 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.055 1.742 . . . . 0.0 113.412 175.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 88.28 4.26 77.7 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.907 1.718 . . . . 0.0 116.304 179.407 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -91.72 142.36 27.69 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.674 1.59 . . . . 0.0 111.614 173.552 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 125' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -133.64 5.52 3.69 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.16 1.384 . . . . 0.0 114.244 175.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -99.09 -32.14 5.96 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.549 1.071 . . . . 0.0 115.172 -178.007 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.0 -2.87 83.46 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 116.74 1.456 . . . . 0.0 116.74 -171.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -63.92 111.17 3.92 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-N 119.056 1.428 . . . . 0.0 113.382 -174.05 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . . . . . . . . . 43.5 t -166.49 136.56 3.22 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.771 1.629 . . . . 0.0 111.297 -177.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.57 80.57 1.3 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.689 1.138 . . . . 0.0 113.426 174.074 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -64.32 132.13 38.75 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 123.976 0.798 . . . . 0.0 113.249 177.369 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -92.41 -17.8 44.55 Favored Glycine 0 CA--C 1.536 1.39 0 N-CA-C 116.805 1.482 . . . . 0.0 116.805 -170.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 22.0 t -86.48 154.65 20.96 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.134 1.467 . . . . 0.0 112.282 178.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 134' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -38.4 70.68 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.797 1.239 . . . . 0.0 112.57 177.077 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.28 -20.59 65.66 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.199 1.0 . . . . 0.0 113.518 176.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -78.65 -56.28 4.54 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.104 0.961 . . . . 0.0 110.189 174.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 6.7 tt -63.41 -37.03 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.253 1.021 . . . . 0.0 112.215 -178.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 138' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.09 -29.92 68.9 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.956 1.253 . . . . 0.0 112.912 175.405 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -79.32 -53.88 6.5 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.862 0.756 . . . . 0.0 111.769 173.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.33 -46.13 91.0 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.823 0.849 . . . . 0.0 112.864 -176.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 20.9 tp -75.82 -22.33 56.41 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.446 1.098 . . . . 0.0 113.236 -176.642 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.28 -33.44 49.5 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.048 -1.033 . . . . 0.0 112.663 167.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -65.49 -42.59 91.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.101 0.96 . . . . 0.0 112.599 -178.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 144' ' ' SER . . . . . . . . . . . . . 72.1 p -64.13 -42.52 96.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.221 0.608 . . . . 0.0 111.941 172.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.78 -40.46 88.33 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.851 1.26 . . . . 0.0 112.247 174.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 53.4 m -60.03 -41.83 93.07 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.234 -0.916 . . . . 0.0 112.144 173.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.92 -32.24 70.43 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 176.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.11 -53.22 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 120.745 -1.222 . . . . 0.0 110.024 169.582 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -61.64 -40.5 95.1 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.85 0.86 . . . . 0.0 112.251 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -60.54 -44.95 95.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.952 1.301 . . . . 0.0 112.892 175.056 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 151' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.43 -35.07 65.74 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.688 0.676 . . . . 0.0 112.512 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 152' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -60.64 -44.79 95.98 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.731 0.696 . . . . 0.0 111.694 170.242 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 153' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.43 98.38 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.341 0.657 . . . . 0.0 112.191 176.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.38 95.55 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.738 0.815 . . . . 0.0 112.786 177.663 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 155' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -63.14 -38.69 92.16 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.528 1.131 . . . . 0.0 112.345 175.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 156' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -70.99 -41.18 71.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.516 0.726 . . . . 0.0 112.523 175.54 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.38 95.06 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.085 0.954 . . . . 0.0 113.451 -174.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.3 -28.03 66.82 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 175.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.35 -47.77 63.33 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.379 1.072 . . . . 0.0 112.187 -175.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 160' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -74.01 -26.78 60.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.083 0.953 . . . . 0.0 113.1 178.46 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 161' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.28 77.65 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.738 0.815 . . . . 0.0 112.935 -176.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 162' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -80.22 0.34 32.97 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.329 1.452 . . . . 0.0 114.559 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -140.15 20.81 2.44 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.477 1.911 . . . . 0.0 113.835 -177.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 164' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.849 1.66 . . . . 0.0 113.26 177.663 . . . . . . . . 0 0 . 1 stop_ save_