data_1uel_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1uel _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 ttp . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -92.29 78.66 5.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 124.439 1.095 . . . . 0.0 111.264 -170.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.54 131.31 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.006 1.322 . . . . 0.0 109.489 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.7 m -79.9 133.71 36.25 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 169.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.1 148.54 27.69 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.986 1.314 . . . . 0.0 110.604 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -137.65 140.18 40.71 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.1 1.76 . . . . 0.0 111.148 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 p -103.55 167.91 9.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.775 1.23 . . . . 0.0 112.29 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.7 mt -66.39 -26.82 67.43 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 172.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -75.66 3.56 9.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.118 1.367 . . . . 0.0 112.65 169.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 59.55 33.12 22.03 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.607 2.363 . . . . 0.0 114.085 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -89.05 153.31 21.1 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.633 0.773 . . . . 0.0 109.115 169.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 p -136.06 139.97 43.45 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.353 0.661 . . . . 0.0 112.777 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -143.61 -175.46 4.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.35 2.26 . . . . 0.0 109.916 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -131.71 153.91 49.55 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.999 -1.063 . . . . 0.0 111.83 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.5 mm -133.81 109.36 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 126.771 2.028 . . . . 0.0 108.899 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -78.64 95.21 5.2 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.795 169.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -114.16 148.98 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.599 1.96 . . . . 0.0 111.228 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -75.26 114.22 33.3 Favored Pre-proline 0 CA--C 1.55 0.973 0 O-C-N 121.243 -0.911 . . . . 0.0 111.808 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -69.44 -13.02 34.8 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.362 2.708 . . . . 0.0 112.812 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.36 -21.01 66.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.039 1.736 . . . . 0.0 112.705 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -97.99 175.53 6.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.687 1.595 . . . . 0.0 112.775 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 64.0 p -86.33 172.38 10.48 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.046 0.938 . . . . 0.0 113.389 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.56 -31.15 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.248 1.019 . . . . 0.0 111.95 174.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -56.12 -35.11 66.73 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.897 -1.127 . . . . 0.0 112.755 170.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.17 -37.17 72.19 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.92 0.782 . . . . 0.0 112.747 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 tp -56.01 -53.12 60.76 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.758 -1.214 . . . . 0.0 110.19 169.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -51.26 -44.59 61.82 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.627 1.171 . . . . 0.0 113.078 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -49.22 77.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.952 0.901 . . . . 0.0 112.376 174.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -61.65 -39.94 93.14 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.9 mt -62.25 -48.05 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.204 0.911 . . . . 0.0 110.342 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.94 -43.26 95.1 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.501 0.591 . . . . 0.0 111.815 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 t -58.01 -48.82 78.91 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.461 1.504 . . . . 0.0 112.412 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -73.78 -50.53 20.13 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.027 1.331 . . . . 0.0 112.965 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -89.5 -16.47 30.68 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.803 1.241 . . . . 0.0 114.088 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.14 156.04 25.42 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 126.461 1.981 . . . . 0.0 113.148 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.51 -26.4 68.69 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.805 1.242 . . . . 0.0 113.219 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -65.33 -41.98 93.42 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.81 1.244 . . . . 0.0 112.329 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.14 -54.16 5.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.541 1.136 . . . . 0.0 112.022 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -141.01 82.5 14.91 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 124.95 1.3 . . . . 0.0 111.804 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.68 151.71 64.0 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.323 2.015 . . . . 0.0 110.009 170.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.6 t -57.84 -45.47 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 120.26 -1.525 . . . . 0.0 111.264 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.37 -18.02 63.74 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.93 -22.24 6.36 Favored Glycine 0 N--CA 1.475 1.254 0 C-N-CA 125.076 1.322 . . . . 0.0 115.014 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -80.04 151.87 29.69 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 118.729 1.264 . . . . 0.0 112.507 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -127.77 150.45 49.8 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.384 1.874 . . . . 0.0 110.027 169.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -123.17 124.07 42.22 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.657 1.983 . . . . 0.0 110.507 -169.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.28 126.19 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.162 1.385 . . . . 0.0 110.41 -171.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -132.38 143.57 49.93 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.74 1.216 . . . . 0.0 111.498 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 46.97 35.47 3.34 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.682 1.193 . . . . 0.0 114.206 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.27 12.27 84.32 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.915 2.198 . . . . 0.0 116.147 -177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -128.75 133.37 48.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.238 1.815 . . . . 0.0 111.725 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -68.72 128.06 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.582 0.753 . . . . 0.0 110.721 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.0 mt -72.25 125.5 27.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.999 1.72 . . . . 0.0 111.272 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -68.67 118.9 12.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.989 0.916 . . . . 0.0 110.34 172.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.47 -33.51 63.73 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.41 -17.31 42.64 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.301 1.04 . . . . 0.0 113.546 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.1 m -82.73 151.5 26.16 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.88 1.272 . . . . 0.0 111.02 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.87 157.93 32.71 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.51 -35.39 80.72 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.864 0.866 . . . . 0.0 112.976 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -61.06 -27.88 68.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.299 1.44 . . . . 0.0 113.887 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -64.91 -18.01 64.84 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.846 1.259 . . . . 0.0 113.947 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.32 0.64 15.76 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.624 1.57 . . . . 0.0 112.367 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp 45.57 42.29 7.92 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.902 2.481 . . . . 0.0 113.427 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.0 mt -58.54 129.93 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.129 1.372 . . . . 0.0 110.174 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -99.46 157.27 16.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.237 1.015 . . . . 0.0 111.614 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -76.45 -38.46 55.39 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.835 0.854 . . . . 0.0 112.812 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -78.74 -34.35 45.87 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.155 1.382 . . . . 0.0 112.394 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -74.3 169.76 16.98 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.825 0.45 . . . . 0.0 110.078 169.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -118.76 143.88 46.62 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -92.43 154.8 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.662 1.585 . . . . 0.0 107.4 168.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.2 t -106.89 132.05 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.727 -0.608 . . . . 0.0 109.824 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.49 136.7 53.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 125.34 1.456 . . . . 0.0 109.838 171.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -132.1 162.03 31.83 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.956 1.302 . . . . 0.0 111.133 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.467 0.382 0 C-N-CA 125.329 1.451 . . . . 0.0 109.419 176.504 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 CA--C 1.544 0.718 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.54 -42.15 98.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.625 1.17 . . . . 0.0 112.929 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.51 -40.19 77.11 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.174 -0.953 . . . . 0.0 112.586 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.26 -44.14 95.54 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.025 0.93 . . . . 0.0 111.277 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 52.7 mt -56.72 -52.98 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.671 1.188 . . . . 0.0 111.386 170.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.49 -34.43 74.05 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.864 1.211 . . . . 0.0 113.243 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.51 -45.7 91.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.206 1.002 . . . . 0.0 111.553 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.09 79.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.102 0.961 . . . . 0.0 112.912 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.1 mtt -56.02 -58.56 7.41 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 125.596 1.559 . . . . 0.0 111.007 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -52.17 -42.69 63.65 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.74 0.816 . . . . 0.0 112.915 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 74.0 mtm -59.72 -56.6 19.85 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.211 0.914 . . . . 0.0 112.414 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 179.355 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttp . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -96.21 83.11 3.54 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.379 1.072 . . . . 0.0 110.5 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.17 136.03 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.358 1.463 . . . . 0.0 110.186 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.9 m -82.39 132.65 35.21 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.768 -0.583 . . . . 0.0 109.486 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.71 149.54 28.02 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.586 1.554 . . . . 0.0 111.011 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -138.03 136.73 37.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.113 1.765 . . . . 0.0 111.296 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 p -99.4 164.63 12.03 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.264 1.426 . . . . 0.0 111.696 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -68.09 -15.74 63.72 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.63 6.28 15.58 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.737 1.215 . . . . 0.0 111.889 169.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 62.57 23.49 13.96 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 128.07 2.548 . . . . 0.0 113.984 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -86.52 152.71 22.41 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.746 0.818 . . . . 0.0 109.566 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -132.45 144.8 50.73 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.015 0.912 . . . . 0.0 112.957 -177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -146.05 -174.98 4.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.825 2.45 . . . . 0.0 109.864 -172.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 153.39 50.31 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.825 -1.172 . . . . 0.0 112.133 169.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mm -135.74 113.39 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 126.385 1.874 . . . . 0.0 109.84 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -75.77 97.96 4.0 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.091 1.756 . . . . 0.0 110.558 169.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.408 HD11 ' H ' ' A' ' 18' ' ' ASP . 6.7 tp -124.28 151.68 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.943 1.697 . . . . 0.0 111.884 -174.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.408 ' H ' HD11 ' A' ' 17' ' ' ILE . 21.6 m-20 -80.26 114.72 49.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 O-C-N 121.282 -0.886 . . . . 0.0 111.351 174.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -72.68 -16.55 26.7 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.123 2.549 . . . . 0.0 114.185 -172.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -75.41 -18.98 59.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.966 1.306 . . . . 0.0 112.905 171.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.78 172.09 14.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.188 0.995 . . . . 0.0 111.695 171.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 29.9 p -89.74 173.86 8.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 122.564 1.173 . . . . 0.0 113.502 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.12 -29.51 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.503 1.521 . . . . 0.0 112.497 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -57.62 -37.66 73.66 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.37 1.068 . . . . 0.0 112.238 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.55 66.68 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.792 0.837 . . . . 0.0 112.956 174.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.38 -55.23 33.95 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.553 -1.342 . . . . 0.0 110.376 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -51.01 -44.24 60.97 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.818 1.247 . . . . 0.0 113.491 170.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -47.17 83.17 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.414 1.006 . . . . 0.0 112.411 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.14 -36.92 77.97 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.429 0.691 . . . . 0.0 112.623 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.3 mt -59.54 -51.27 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.005 0.922 . . . . 0.0 110.806 170.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.03 -46.52 88.0 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.453 0.701 . . . . 0.0 111.619 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.3 t -57.44 -46.0 84.08 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.74 1.216 . . . . 0.0 112.754 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.48 -56.33 7.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.54 1.136 . . . . 0.0 112.749 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.22 -18.35 30.51 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.47 154.63 30.89 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.872 2.177 . . . . 0.0 113.24 -175.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.18 -30.23 70.66 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.704 1.202 . . . . 0.0 113.646 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.49 -34.2 76.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.788 0.722 . . . . 0.0 112.692 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.17 -56.33 4.66 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.824 0.85 . . . . 0.0 111.609 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -142.77 81.03 13.53 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.041 1.337 . . . . 0.0 111.946 -171.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.54 139.55 25.72 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 123.132 2.555 . . . . 0.0 110.683 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.7 t -50.11 -48.88 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.305 1.042 . . . . 0.0 112.349 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.05 -18.16 63.98 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.83 -19.63 12.86 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.489 1.518 . . . . 0.0 114.271 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -68.79 149.3 49.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.532 1.133 . . . . 0.0 113.257 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -134.92 146.29 49.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.231 2.213 . . . . 0.0 108.114 167.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.1 124.54 39.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.81 1.644 . . . . 0.0 110.282 -169.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -132.61 127.14 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.193 1.397 . . . . 0.0 110.868 -169.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -132.63 143.55 49.75 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.813 1.245 . . . . 0.0 111.124 172.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.97 27.21 3.09 Favored 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.6 32.41 74.72 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.918 1.723 . . . . 0.0 114.665 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -134.21 129.46 35.77 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.422 2.289 . . . . 0.0 110.87 170.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -69.4 125.3 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.617 -0.677 . . . . 0.0 110.35 172.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.2 129.2 37.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.656 1.582 . . . . 0.0 110.946 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -78.3 131.16 36.94 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.61 -18.91 22.49 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.53 1.932 . . . . 0.0 115.583 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -111.18 3.41 18.46 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.677 1.591 . . . . 0.0 113.213 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -107.98 140.9 40.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.948 1.699 . . . . 0.0 110.072 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.94 155.71 38.38 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.49 -29.66 70.34 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.205 -0.935 . . . . 0.0 112.833 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -48.92 -38.56 23.15 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.585 1.954 . . . . 0.0 113.193 169.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -67.45 -15.02 63.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.76 1.624 . . . . 0.0 114.493 -173.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -115.8 0.55 13.19 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.782 1.633 . . . . 0.0 112.561 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 45.05 41.23 5.29 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.975 2.51 . . . . 0.0 113.812 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.56 134.86 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.44 1.496 . . . . 0.0 109.631 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.27 156.0 17.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.164 0.986 . . . . 0.0 111.168 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -70.73 -34.3 71.75 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.887 0.875 . . . . 0.0 112.59 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -79.04 -35.43 42.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.952 1.701 . . . . 0.0 112.58 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -71.14 163.1 28.29 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.632 0.773 . . . . 0.0 110.004 170.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -111.79 144.46 41.05 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.681 0.753 . . . . 0.0 112.698 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.69 157.29 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 126.134 1.773 . . . . 0.0 108.497 169.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.2 t -106.91 123.96 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.644 -0.66 . . . . 0.0 110.445 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.61 136.82 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.269 1.427 . . . . 0.0 109.608 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.8 ptm -135.63 163.05 31.03 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.679 1.191 . . . . 0.0 111.127 171.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.467 0.4 0 C-N-CA 125.219 1.408 . . . . 0.0 109.326 179.581 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -63.57 -43.43 97.03 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.956 1.302 . . . . 0.0 112.66 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.19 -38.04 78.45 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.148 -0.97 . . . . 0.0 112.698 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -60.2 -44.68 94.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.043 0.937 . . . . 0.0 111.256 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 56.1 mt -58.57 -51.29 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.27 1.028 . . . . 0.0 111.176 171.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -56.23 -39.37 72.42 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.503 1.047 . . . . 0.0 112.823 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.94 -47.39 83.43 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.573 0.749 . . . . 0.0 112.292 169.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.01 75.43 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 9.3 mmt -55.9 -56.7 17.52 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.994 1.318 . . . . 0.0 111.085 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -58.89 -41.46 87.18 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.739 0.816 . . . . 0.0 112.494 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 35.7 ttp -65.35 -44.72 86.8 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.661 -0.649 . . . . 0.0 111.752 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 175.304 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 ttp . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.579 0.704 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -86.31 78.06 9.38 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.956 1.302 . . . . 0.0 111.179 -173.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.94 130.65 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.024 0.929 . . . . 0.0 109.215 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.6 m -79.89 134.83 36.32 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 169.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.05 152.17 26.28 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.562 1.545 . . . . 0.0 111.163 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -139.35 139.16 37.16 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.103 1.761 . . . . 0.0 111.475 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 p -100.63 167.9 10.04 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.997 1.319 . . . . 0.0 112.364 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.0 mt -67.72 -26.68 66.27 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.194 -0.941 . . . . 0.0 113.083 169.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -74.62 4.42 6.21 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.184 0.994 . . . . 0.0 111.925 169.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 66.43 23.05 10.64 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.5 2.32 . . . . 0.0 113.522 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -89.21 158.88 17.71 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.347 1.459 . . . . 0.0 110.195 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.8 p -138.76 146.91 41.99 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.68 0.792 . . . . 0.0 112.87 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -150.51 -171.62 3.97 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.384 2.273 . . . . 0.0 110.09 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -127.63 155.16 44.32 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.917 -1.114 . . . . 0.0 112.516 169.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.4 mm -132.25 107.94 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 127.332 2.253 . . . . 0.0 108.606 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -75.37 100.7 4.51 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.37 169.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tp -120.61 150.33 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.396 1.879 . . . . 0.0 110.773 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -72.5 118.1 64.74 Favored Pre-proline 0 CA--C 1.552 1.032 0 O-C-N 121.075 -1.015 . . . . 0.0 110.77 174.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.84 -14.06 26.71 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.893 2.395 . . . . 0.0 114.603 -172.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -87.94 -13.38 41.98 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.167 -0.958 . . . . 0.0 112.44 173.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -79.67 175.23 10.8 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 122.112 0.958 . . . . 0.0 110.308 168.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 30.1 p -93.98 173.88 7.44 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -170.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.42 -31.83 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.886 0.874 . . . . 0.0 111.385 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -60.6 -36.78 79.41 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.987 -1.071 . . . . 0.0 112.403 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -37.81 82.49 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 118.744 0.702 . . . . 0.0 112.773 172.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.64 -54.75 42.43 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.943 -1.098 . . . . 0.0 110.96 169.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.57 -42.92 45.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.576 1.15 . . . . 0.0 113.231 171.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -54.59 29.46 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.7 1.6 . . . . 0.0 112.363 171.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -68.85 -34.48 75.54 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.626 -0.671 . . . . 0.0 112.491 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.27 -50.06 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.27 1.028 . . . . 0.0 110.858 169.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.94 -43.76 86.55 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.819 0.848 . . . . 0.0 111.293 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -61.3 -49.1 78.4 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.871 1.269 . . . . 0.0 112.714 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -66.61 -58.54 4.95 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.866 1.266 . . . . 0.0 112.713 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -85.03 -14.97 45.67 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.935 1.294 . . . . 0.0 114.011 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.91 140.25 6.75 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.639 2.066 . . . . 0.0 112.273 -174.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -25.07 66.85 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.348 1.059 . . . . 0.0 113.479 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.1 -31.43 72.29 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.726 1.61 . . . . 0.0 111.905 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.59 -49.14 6.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.796 1.239 . . . . 0.0 111.837 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.63 79.16 35.52 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.825 1.65 . . . . 0.0 111.845 -173.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.58 143.88 39.0 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.821 2.348 . . . . 0.0 110.095 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.9 t -51.34 -44.03 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 120.752 -1.218 . . . . 0.0 110.769 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -0.53 3.89 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.02 1.728 . . . . 0.0 115.59 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.59 -19.96 1.14 Allowed Glycine 0 N--CA 1.477 1.399 0 C-N-CA 125.317 1.437 . . . . 0.0 115.073 174.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -63.43 146.92 52.61 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.56 1.18 . . . . 0.0 114.162 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -133.44 144.03 49.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.298 2.239 . . . . 0.0 108.692 168.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -125.35 124.27 41.18 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 126.667 1.987 . . . . 0.0 110.001 -169.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -131.8 126.8 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.084 1.353 . . . . 0.0 110.456 -171.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -132.72 139.7 47.75 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.072 1.349 . . . . 0.0 111.303 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.35 26.9 3.31 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.32 17.55 77.76 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 126.502 2.001 . . . . 0.0 115.346 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -127.04 128.17 45.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.738 2.015 . . . . 0.0 110.943 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mt -69.29 124.6 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.614 0.766 . . . . 0.0 110.165 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -68.67 128.34 36.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.921 1.688 . . . . 0.0 111.461 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -70.58 122.19 19.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.11 1.364 . . . . 0.0 111.999 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -49.05 -42.63 39.09 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.913 1.685 . . . . 0.0 114.865 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -89.53 -12.82 38.85 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.561 1.545 . . . . 0.0 113.84 -175.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.3 m -82.57 143.51 30.99 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.471 1.109 . . . . 0.0 110.606 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.91 152.24 35.43 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.97 -36.9 85.03 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.323 -0.861 . . . . 0.0 112.884 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -54.11 -26.29 26.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.638 1.575 . . . . 0.0 114.612 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -70.42 -22.5 62.72 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.22 1.008 . . . . 0.0 113.025 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -100.96 -3.12 30.13 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.232 1.813 . . . . 0.0 112.56 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mptt 47.5 36.94 5.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 128.09 2.556 . . . . 0.0 113.767 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 mt -58.79 139.15 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.21 1.404 . . . . 0.0 109.16 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -108.93 161.62 14.97 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.814 1.246 . . . . 0.0 111.032 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.88 -38.0 82.5 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.164 -0.96 . . . . 0.0 112.852 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -75.63 -36.04 60.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.223 1.409 . . . . 0.0 113.122 -177.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -70.78 158.97 35.4 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.686 1.194 . . . . 0.0 110.733 171.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -117.07 139.96 50.07 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.62 158.97 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 126.272 1.829 . . . . 0.0 108.717 169.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.6 t -110.67 132.38 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 122.988 0.515 . . . . 0.0 110.228 172.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -114.61 137.48 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 125.646 1.578 . . . . 0.0 110.292 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.1 ptm -135.72 168.94 18.35 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.186 1.394 . . . . 0.0 111.372 170.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 CA--C 1.535 0.365 0 C-N-CA 124.949 1.3 . . . . 0.0 110.137 -179.633 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.96 -36.9 85.02 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.737 0.815 . . . . 0.0 112.792 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.3 -31.82 54.95 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.354 -0.841 . . . . 0.0 112.291 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -61.14 -46.06 92.12 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.251 0.932 . . . . 0.0 110.463 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.44 -52.85 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.887 1.275 . . . . 0.0 110.74 171.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.05 76.5 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.887 1.221 . . . . 0.0 113.669 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -61.97 -46.23 90.16 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.541 1.136 . . . . 0.0 111.591 169.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.49 83.12 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.354 -0.841 . . . . 0.0 113.218 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 47.5 mtt -57.57 -51.3 70.05 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.277 1.031 . . . . 0.0 111.686 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -56.4 -44.54 80.37 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.052 0.941 . . . . 0.0 112.794 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.51 -48.81 76.05 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.839 0.745 . . . . 0.0 111.656 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -178.796 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 mtp . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -85.98 78.52 9.44 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.391 -0.818 . . . . 0.0 109.367 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.98 135.24 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.746 1.618 . . . . 0.0 109.847 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.2 m -82.37 134.87 35.26 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.611 -0.681 . . . . 0.0 110.082 169.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.93 151.16 27.43 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.206 1.803 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -137.95 126.62 23.69 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.241 1.817 . . . . 0.0 111.204 172.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 p -84.86 168.14 15.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.057 1.343 . . . . 0.0 112.156 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.82 -23.88 64.32 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.06 -1.025 . . . . 0.0 113.572 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -77.92 6.42 7.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.007 0.923 . . . . 0.0 112.203 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 58.64 32.97 22.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.444 2.698 . . . . 0.0 114.356 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -88.98 149.38 23.3 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 169.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 p -129.85 139.58 51.17 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.932 0.872 . . . . 0.0 112.498 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -144.33 -179.62 6.65 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.152 2.181 . . . . 0.0 110.089 -173.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.45 149.35 50.61 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.146 -0.971 . . . . 0.0 111.424 169.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.2 mm -129.43 113.44 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.712 2.005 . . . . 0.0 109.286 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -77.44 97.2 4.89 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.783 1.233 . . . . 0.0 110.094 170.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -120.45 145.71 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 127.101 2.161 . . . . 0.0 111.293 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.72 121.8 68.7 Favored Pre-proline 0 CA--C 1.548 0.877 0 O-C-N 121.391 -0.818 . . . . 0.0 110.25 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.99 -27.96 80.11 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.475 2.783 . . . . 0.0 114.269 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -74.08 -17.84 60.9 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.199 1.8 . . . . 0.0 114.12 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -75.95 -10.37 59.37 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.7 p 82.17 174.03 0.1 Allowed 'General case' 0 N--CA 1.483 1.212 1 C-N-CA 132.273 4.229 . . . . 0.0 114.044 177.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.64 -33.34 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 120.743 -1.223 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -62.47 -26.49 68.55 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.998 -1.063 . . . . 0.0 112.757 173.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.41 -31.88 42.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.082 0.953 . . . . 0.0 113.299 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 tp -56.48 -51.35 68.78 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.652 -1.28 . . . . 0.0 108.782 169.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -53.84 -42.57 68.65 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.77 1.628 . . . . 0.0 113.611 169.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -43.65 96.77 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.353 1.433 . . . . 0.0 112.944 174.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -63.17 -46.15 88.49 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.329 1.051 . . . . 0.0 112.138 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -58.01 -49.75 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.534 1.134 . . . . 0.0 110.805 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -50.21 69.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.737 1.215 . . . . 0.0 112.038 174.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -60.45 -47.93 83.97 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.703 1.201 . . . . 0.0 112.906 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -70.43 -53.84 14.8 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.326 1.451 . . . . 0.0 112.72 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -88.89 -15.62 33.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -169.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.19 122.69 3.62 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.172 1.844 . . . . 0.0 112.896 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 pttm -53.17 -33.1 51.09 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.234 1.414 . . . . 0.0 114.609 -172.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.5 -33.37 75.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.126 0.57 . . . . 0.0 112.261 -172.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.88 -24.73 14.57 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.627 1.171 . . . . 0.0 112.951 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -131.54 68.15 80.74 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 126.651 1.98 . . . . 0.0 111.612 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.09 139.05 11.68 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.963 2.442 . . . . 0.0 111.626 -176.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -51.98 -46.2 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 120.928 -1.107 . . . . 0.0 111.54 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 -2.64 13.12 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.49 -16.97 2.21 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 126.016 1.77 . . . . 0.0 115.329 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -67.35 137.31 55.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.213 1.506 . . . . 0.0 112.449 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -121.29 149.17 43.31 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.583 1.553 . . . . 0.0 109.066 168.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.49 124.16 28.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 126.233 1.813 . . . . 0.0 109.395 -169.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.94 120.73 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.054 1.342 . . . . 0.0 110.486 -169.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -127.75 147.7 50.41 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.274 1.03 . . . . 0.0 111.567 169.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.22 26.53 2.99 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.953 1.301 . . . . 0.0 114.26 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.72 19.28 79.71 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.161 1.362 . . . . 0.0 115.141 -174.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -127.0 129.82 48.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.51 1.924 . . . . 0.0 111.29 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -67.66 127.12 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.492 0.717 . . . . 0.0 110.545 175.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -75.64 138.68 41.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.744 1.617 . . . . 0.0 111.857 -176.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -73.07 122.09 21.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.786 1.235 . . . . 0.0 110.829 175.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.08 -33.56 26.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.398 1.479 . . . . 0.0 114.483 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -100.25 -3.66 31.0 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.0 m -88.19 145.34 25.96 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.511 1.125 . . . . 0.0 110.291 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.26 153.82 39.23 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.082 -1.011 . . . . 0.0 113.408 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.47 -29.95 70.67 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.114 0.966 . . . . 0.0 113.019 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -58.16 -35.14 71.11 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.733 1.613 . . . . 0.0 113.026 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.0 -17.48 64.47 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.035 1.334 . . . . 0.0 113.829 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -107.17 -0.11 22.97 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.041 1.737 . . . . 0.0 112.668 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 47.71 36.58 5.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.815 2.446 . . . . 0.0 114.017 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.56 146.28 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.148 1.379 . . . . 0.0 108.972 171.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -122.89 163.68 19.88 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.079 1.352 . . . . 0.0 111.279 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.7 -27.96 60.61 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.321 -0.862 . . . . 0.0 112.573 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -79.31 -37.88 36.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.548 1.539 . . . . 0.0 112.953 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -74.26 168.07 20.35 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.085 1.354 . . . . 0.0 111.24 173.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -116.18 141.73 47.76 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.575 0.75 . . . . 0.0 112.371 173.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.75 161.94 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.17 1.788 . . . . 0.0 109.582 169.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.8 t -112.22 133.39 58.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 O-C-N 121.739 -0.6 . . . . 0.0 110.465 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -121.29 140.52 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.38 1.472 . . . . 0.0 111.323 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -141.78 173.38 11.56 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.722 1.609 . . . . 0.0 111.65 173.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.468 0.442 0 C-N-CA 124.948 1.299 . . . . 0.0 110.084 179.05 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -65.34 -43.77 89.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.116 1.366 . . . . 0.0 112.76 173.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -69.08 -37.67 78.6 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.145 -0.972 . . . . 0.0 112.368 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -58.9 -45.16 90.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.939 0.895 . . . . 0.0 111.49 170.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 34.0 mt -56.89 -53.95 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.213 1.005 . . . . 0.0 111.0 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.21 77.36 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.841 1.201 . . . . 0.0 113.506 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -61.37 -44.51 97.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.489 1.115 . . . . 0.0 111.808 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.08 79.41 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.772 0.829 . . . . 0.0 112.337 170.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 42.2 mtt -57.42 -45.32 84.74 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.971 1.308 . . . . 0.0 112.284 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -58.31 -46.69 85.68 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.895 0.77 . . . . 0.0 112.504 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 79.0 mtm -66.16 -39.77 90.02 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.665 0.666 . . . . 0.0 111.894 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 CA--C 1.538 0.484 0 C-N-CA 125.511 1.524 . . . . 0.0 113.502 174.59 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.8 ttp . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 121.61 0.719 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -84.93 75.74 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.935 1.294 . . . . 0.0 111.48 -171.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.16 119.3 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.026 1.33 . . . . 0.0 109.819 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.5 m -79.56 141.02 37.0 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.963 0.411 . . . . 0.0 110.579 170.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 mt -118.04 153.58 33.46 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.049 1.74 . . . . 0.0 111.595 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -134.16 123.94 25.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.702 2.001 . . . . 0.0 110.298 169.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 p -81.16 167.61 19.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.977 1.311 . . . . 0.0 112.114 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.1 mt -68.09 -22.35 64.91 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.025 -1.047 . . . . 0.0 113.692 170.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -79.39 5.66 12.08 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.056 1.343 . . . . 0.0 112.07 169.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 57.89 34.09 23.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.126 2.57 . . . . 0.0 114.316 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -89.34 149.21 23.12 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.893 1.277 . . . . 0.0 108.668 169.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 p -131.65 138.69 48.85 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.788 0.722 . . . . 0.0 112.67 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -144.67 171.36 14.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.481 1.912 . . . . 0.0 110.796 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -125.81 144.29 50.7 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.539 1.136 . . . . 0.0 111.964 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 mm -130.94 111.95 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.67 1.988 . . . . 0.0 109.171 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -77.45 70.66 3.86 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 122.153 0.978 . . . . 0.0 111.657 175.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.412 HD13 ' H ' ' A' ' 18' ' ' ASP . 6.6 tp -78.65 150.12 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 125.517 1.527 . . . . 0.0 111.61 177.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.412 ' H ' HD13 ' A' ' 17' ' ' ILE . 50.1 t0 -77.15 113.48 31.2 Favored Pre-proline 0 CA--C 1.554 1.115 0 O-C-N 120.938 -1.101 . . . . 0.0 111.179 172.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -70.07 -12.74 32.87 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.517 2.812 . . . . 0.0 113.807 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -72.11 -23.25 61.29 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.674 1.124 . . . . 0.0 112.237 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -84.67 176.46 8.56 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.056 1.342 . . . . 0.0 112.128 175.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.6 p -93.58 174.67 7.07 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.253 1.021 . . . . 0.0 113.587 -174.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.55 -32.02 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.159 0.983 . . . . 0.0 111.869 174.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -56.79 -39.41 74.05 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.152 -0.968 . . . . 0.0 112.069 171.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.53 -35.35 73.1 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 tp -54.11 -54.61 37.11 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.504 1.047 . . . . 0.0 110.563 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -51.61 -44.03 62.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.123 0.969 . . . . 0.0 113.549 171.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -44.96 87.49 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.676 1.19 . . . . 0.0 112.772 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -65.32 -44.26 88.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.597 1.159 . . . . 0.0 112.508 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.63 -50.62 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.873 0.869 . . . . 0.0 110.745 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.95 -43.76 91.31 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.449 0.699 . . . . 0.0 111.57 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.5 m -61.42 -44.69 96.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.132 0.973 . . . . 0.0 113.006 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.9 -58.11 3.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.465 1.106 . . . . 0.0 112.53 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -76.31 -20.03 57.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.635 1.174 . . . . 0.0 113.705 -174.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.91 141.15 6.51 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.422 1.963 . . . . 0.0 112.317 -172.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -58.91 -21.78 58.34 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.552 2.341 . . . . 0.0 114.24 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -64.18 -35.63 81.41 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.61 1.164 . . . . 0.0 112.899 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.23 -50.42 5.28 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.039 1.336 . . . . 0.0 112.105 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -137.09 80.2 35.77 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 125.676 1.59 . . . . 0.0 111.597 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.81 148.57 58.56 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.415 2.076 . . . . 0.0 110.007 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -54.32 -45.8 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 O-C-N 120.568 -1.333 . . . . 0.0 111.422 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.9 -13.68 62.11 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.254 1.575 . . . . 0.0 115.254 -177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.86 -23.22 4.03 Favored Glycine 0 N--CA 1.476 1.31 0 C-N-CA 124.78 1.181 . . . . 0.0 114.896 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -75.42 147.25 40.1 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.706 1.253 . . . . 0.0 111.983 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -128.22 151.71 48.94 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.586 1.554 . . . . 0.0 110.448 170.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -125.41 123.64 39.73 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 127.298 2.239 . . . . 0.0 109.576 -169.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.63 122.43 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.929 1.291 . . . . 0.0 110.531 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -128.37 146.54 50.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.522 1.129 . . . . 0.0 111.434 171.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.87 25.74 1.7 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.49 13.14 82.13 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.011 1.291 . . . . 0.0 115.395 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -126.33 134.89 50.97 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.791 1.637 . . . . 0.0 111.388 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.2 126.27 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 123.605 0.762 . . . . 0.0 110.761 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -69.0 125.24 26.04 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.121 1.768 . . . . 0.0 111.011 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -70.6 122.54 19.93 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.854 0.862 . . . . 0.0 111.533 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -49.55 -45.85 48.03 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.433 1.493 . . . . 0.0 113.978 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -77.62 -17.23 57.99 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.123 1.369 . . . . 0.0 114.298 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.0 m -82.69 145.3 29.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.385 1.074 . . . . 0.0 110.775 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.62 155.57 33.39 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.242 -0.911 . . . . 0.0 113.446 -177.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.69 -33.09 75.13 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.01 -29.51 69.75 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.866 1.266 . . . . 0.0 113.805 175.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.93 -20.28 66.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.592 1.157 . . . . 0.0 113.091 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -107.1 0.47 23.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.486 1.914 . . . . 0.0 112.608 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 tttm 43.6 40.61 2.99 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.616 2.766 . . . . 0.0 115.069 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.9 mt -58.77 136.85 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.314 1.446 . . . . 0.0 110.254 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -102.84 159.78 15.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.779 1.232 . . . . 0.0 111.736 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -78.13 -40.67 37.39 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -80.79 -32.66 35.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.917 1.287 . . . . 0.0 112.181 -175.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -76.42 168.92 19.2 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.955 0.502 . . . . 0.0 110.659 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -117.77 144.86 44.94 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -97.13 161.43 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 126.371 1.869 . . . . 0.0 108.115 169.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.5 t -103.18 127.82 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.321 -0.862 . . . . 0.0 110.054 173.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.5 141.26 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.142 1.377 . . . . 0.0 109.309 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -137.2 167.75 20.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.729 1.212 . . . . 0.0 111.05 170.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.467 0.382 0 C-N-CA 124.846 1.259 . . . . 0.0 109.867 174.394 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.03 -33.39 75.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.862 0.865 . . . . 0.0 113.097 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -72.4 -40.78 66.95 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.308 -0.87 . . . . 0.0 112.444 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -63.83 -42.24 97.66 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.336 -0.853 . . . . 0.0 111.276 171.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.13 -49.89 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.17 0.988 . . . . 0.0 110.959 171.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.28 -32.52 72.35 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 120.0 1.273 . . . . 0.0 113.676 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.2 -42.25 89.07 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.043 -1.036 . . . . 0.0 111.951 169.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.12 -46.23 85.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.845 0.858 . . . . 0.0 112.112 171.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.4 mtt -57.78 -45.29 86.2 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.424 1.49 . . . . 0.0 111.733 173.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.63 -47.23 85.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.312 0.96 . . . . 0.0 112.425 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 69.2 mtm -63.07 -40.26 97.16 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.192 0.906 . . . . 0.0 111.922 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 124.935 1.294 . . . . 0.0 113.431 173.457 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.821 0.343 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -92.2 84.83 5.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.413 1.085 . . . . 0.0 110.38 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.75 133.59 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.422 1.089 . . . . 0.0 109.503 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.2 m -81.37 133.52 35.43 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.729 -0.607 . . . . 0.0 109.585 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.5 147.49 29.32 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.426 1.49 . . . . 0.0 110.628 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HE3' ' CG2' ' A' ' 12' ' ' THR . 2.9 tppp? -135.63 122.6 21.34 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.84 2.456 . . . . 0.0 109.723 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.1 p -85.52 166.06 16.6 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.719 1.208 . . . . 0.0 111.778 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.7 mt -67.53 -22.59 65.42 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.805 -1.184 . . . . 0.0 113.675 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -77.26 7.98 4.59 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.129 1.372 . . . . 0.0 111.798 169.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 57.45 28.5 15.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.68 2.792 . . . . 0.0 114.242 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -89.21 157.87 18.09 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.586 1.155 . . . . 0.0 109.497 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.424 ' CG2' ' HE3' ' A' ' 6' ' ' LYS . 33.4 p -135.83 148.1 48.54 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.328 1.061 . . . . 0.0 113.665 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -146.93 -179.95 7.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.0 2.52 . . . . 0.0 109.098 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -129.13 153.11 48.01 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.18 -0.95 . . . . 0.0 111.083 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.1 mm -134.7 110.74 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 126.133 1.773 . . . . 0.0 108.876 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -77.5 99.32 5.64 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.993 169.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.444 HD13 ' H ' ' A' ' 18' ' ' ASP . 4.0 tp -117.33 143.76 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.522 1.929 . . . . 0.0 111.553 -174.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.444 ' H ' HD13 ' A' ' 17' ' ' ILE . 13.2 m-20 -77.54 121.16 83.94 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 125.648 1.579 . . . . 0.0 111.057 171.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.11 -29.84 65.47 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.22 2.613 . . . . 0.0 113.886 -174.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -77.18 -20.86 54.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.981 1.712 . . . . 0.0 114.168 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -82.77 -6.01 59.2 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -169.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.8 p 87.02 174.14 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.343 1 C-N-CA 132.012 4.125 . . . . 0.0 113.748 173.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.09 -31.9 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 O-C-N 120.769 -1.207 . . . . 0.0 112.267 176.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -56.96 -37.16 71.17 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.964 -1.085 . . . . 0.0 112.354 171.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.11 -33.83 68.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 174.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.65 -55.5 33.2 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.091 -1.005 . . . . 0.0 110.042 169.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -50.37 -43.59 54.44 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.862 1.265 . . . . 0.0 113.606 170.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -50.76 63.38 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.101 1.36 . . . . 0.0 112.189 174.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -41.14 87.64 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.627 0.771 . . . . 0.0 111.961 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.79 -49.16 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.096 0.958 . . . . 0.0 110.843 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.04 -44.35 91.76 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.635 0.774 . . . . 0.0 111.377 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -59.98 -49.33 78.11 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.682 1.193 . . . . 0.0 112.589 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.98 -52.71 32.7 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.835 1.254 . . . . 0.0 112.683 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -90.23 -15.28 31.67 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -170.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.58 150.7 24.85 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 126.779 2.133 . . . . 0.0 113.165 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -63.04 -26.34 68.8 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.609 1.164 . . . . 0.0 113.343 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.59 -36.82 83.54 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.388 1.075 . . . . 0.0 112.657 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.55 -54.04 5.0 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.573 1.149 . . . . 0.0 112.022 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -139.03 77.56 31.07 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 124.963 1.305 . . . . 0.0 111.54 -172.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.43 146.58 56.47 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 C-N-CA 122.364 2.043 . . . . 0.0 109.929 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.4 t -51.4 -45.21 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 120.933 -1.105 . . . . 0.0 112.016 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.85 -14.89 61.6 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.36 -25.05 3.9 Favored Glycine 0 N--CA 1.476 1.322 0 C-N-CA 125.065 1.316 . . . . 0.0 114.8 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -71.43 144.79 49.63 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.477 1.139 . . . . 0.0 110.964 172.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -125.79 145.05 50.38 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.397 1.479 . . . . 0.0 109.764 171.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -121.75 127.23 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 126.806 2.042 . . . . 0.0 109.812 -169.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mp -134.65 126.95 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.002 1.321 . . . . 0.0 110.801 -171.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -132.09 137.19 47.65 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.759 1.224 . . . . 0.0 111.078 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 44.76 39.27 3.35 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.339 1.456 . . . . 0.0 114.551 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.8 28.42 73.62 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 126.79 2.138 . . . . 0.0 115.238 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -130.91 129.94 42.86 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.996 2.118 . . . . 0.0 110.723 173.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -73.21 123.27 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.693 0.797 . . . . 0.0 110.86 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.15 112.48 2.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.753 1.621 . . . . 0.0 110.639 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -71.49 125.13 26.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.486 1.114 . . . . 0.0 110.677 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.53 -46.77 57.58 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.803 2.041 . . . . 0.0 114.631 -169.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -78.75 -17.42 55.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.874 1.27 . . . . 0.0 114.046 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.9 m -76.59 145.6 38.84 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.545 1.138 . . . . 0.0 110.761 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.66 155.89 31.08 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.1 -1.0 . . . . 0.0 113.113 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 99.9 mt -69.8 -26.33 64.21 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.052 0.941 . . . . 0.0 113.317 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -60.26 -32.06 70.8 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.655 1.582 . . . . 0.0 112.899 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.08 -21.57 64.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.186 1.395 . . . . 0.0 113.363 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -102.92 -3.43 26.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.03 1.732 . . . . 0.0 112.545 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 45.48 43.44 8.83 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.874 2.47 . . . . 0.0 113.409 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.11 133.97 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.917 1.287 . . . . 0.0 109.722 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -102.77 157.1 17.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.333 1.053 . . . . 0.0 111.648 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.82 -33.18 57.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.683 0.793 . . . . 0.0 112.998 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -82.98 -33.93 26.5 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.109 1.363 . . . . 0.0 112.463 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -74.04 170.08 16.18 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.252 0.621 . . . . 0.0 110.253 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -115.95 147.53 41.05 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.93 0.892 . . . . 0.0 113.217 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.84 147.63 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.242 1.817 . . . . 0.0 107.614 169.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.1 t -99.11 134.58 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 121.88 -0.513 . . . . 0.0 109.944 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.98 137.46 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.219 1.408 . . . . 0.0 110.794 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.5 ptm -137.78 170.47 16.01 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.984 1.713 . . . . 0.0 111.686 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.468 0.433 0 C-N-CA 125.101 1.361 . . . . 0.0 109.478 175.342 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -62.24 -39.53 93.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.13 0.972 . . . . 0.0 112.787 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.96 -39.68 79.33 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.325 1.05 . . . . 0.0 112.269 174.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -63.03 -41.87 99.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.419 1.088 . . . . 0.0 111.502 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.61 -48.9 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.741 1.216 . . . . 0.0 110.816 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -57.03 -37.75 72.19 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.984 1.265 . . . . 0.0 113.124 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -58.98 -47.03 86.6 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.413 1.085 . . . . 0.0 111.927 169.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.12 84.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.823 0.849 . . . . 0.0 113.281 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 8.2 mmt -53.85 -55.41 26.98 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.87 1.268 . . . . 0.0 110.863 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -48.38 -49.46 34.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.188 1.395 . . . . 0.0 112.681 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 65.9 mtm -64.72 -44.68 89.42 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.668 0.667 . . . . 0.0 111.78 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 175.355 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttp . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 121.769 0.795 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -86.96 79.23 8.81 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.399 1.08 . . . . 0.0 111.23 -170.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.63 119.35 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.752 1.221 . . . . 0.0 109.601 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 m -79.4 140.95 37.27 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.944 0.498 . . . . 0.0 110.037 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 mt -116.39 154.01 31.02 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.567 1.547 . . . . 0.0 111.673 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -132.91 122.79 24.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 128.242 2.617 . . . . 0.0 108.887 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -82.75 165.78 19.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.71 1.204 . . . . 0.0 111.722 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.9 mt -67.78 -21.94 65.22 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.082 -1.011 . . . . 0.0 113.4 170.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -78.0 4.98 10.82 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.784 1.233 . . . . 0.0 112.224 169.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 62.2 27.36 16.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.173 2.589 . . . . 0.0 114.177 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -87.63 157.43 19.12 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.582 1.153 . . . . 0.0 109.225 170.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.9 p -136.61 144.59 44.17 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.528 -0.732 . . . . 0.0 112.388 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -145.93 171.77 14.34 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.834 2.054 . . . . 0.0 109.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -126.96 142.19 51.61 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.108 0.963 . . . . 0.0 111.56 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 mm -128.74 111.92 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 126.754 2.022 . . . . 0.0 109.008 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.73 88.5 2.24 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.089 0.947 . . . . 0.0 110.731 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.47 HD13 ' H ' ' A' ' 18' ' ' ASP . 5.6 tp -99.67 146.05 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.981 1.712 . . . . 0.0 111.141 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.47 ' H ' HD13 ' A' ' 17' ' ' ILE . 5.2 m-20 -72.97 109.12 5.51 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 126.486 1.914 . . . . 0.0 110.63 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -70.43 -15.68 34.61 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.303 2.669 . . . . 0.0 112.927 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.13 -20.74 64.05 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.351 1.46 . . . . 0.0 112.602 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -93.01 -179.08 5.0 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.663 1.585 . . . . 0.0 112.255 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.6 p -97.33 175.22 6.34 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.631 1.172 . . . . 0.0 113.626 -173.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.24 -31.87 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.193 0.997 . . . . 0.0 111.63 174.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -58.63 -38.46 78.12 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.786 -1.196 . . . . 0.0 112.106 170.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.02 78.2 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.776 0.716 . . . . 0.0 112.878 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.95 -54.21 45.71 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.931 1.241 . . . . 0.0 110.476 169.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -51.75 -42.91 62.68 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -45.22 95.32 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.637 1.108 . . . . 0.0 112.802 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -45.22 93.88 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.868 1.267 . . . . 0.0 111.873 174.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.36 -52.89 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.524 1.129 . . . . 0.0 110.739 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.96 -42.35 84.8 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.77 0.828 . . . . 0.0 111.847 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -59.81 -52.32 65.96 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.506 1.522 . . . . 0.0 112.438 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -70.67 -54.43 11.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.406 1.082 . . . . 0.0 112.759 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -78.86 -19.32 52.27 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.7 1.2 . . . . 0.0 113.862 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.61 141.29 3.91 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.174 1.845 . . . . 0.0 111.661 -169.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -66.84 -15.85 63.89 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.71 -36.84 85.19 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.435 1.094 . . . . 0.0 112.28 169.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.6 -50.84 6.02 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.781 1.232 . . . . 0.0 111.925 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -136.88 83.45 28.75 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.467 1.507 . . . . 0.0 111.419 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.63 154.46 64.29 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.387 2.058 . . . . 0.0 109.746 171.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.89 -45.4 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 120.375 -1.453 . . . . 0.0 111.324 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.07 65.76 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.57 -24.77 6.9 Favored Glycine 0 N--CA 1.476 1.321 0 C-N-CA 124.735 1.16 . . . . 0.0 114.993 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.89 149.53 29.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.498 1.149 . . . . 0.0 112.814 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -127.7 153.31 46.65 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.906 1.682 . . . . 0.0 110.237 169.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -126.03 122.47 35.95 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.905 2.082 . . . . 0.0 109.994 -169.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.82 120.88 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.453 1.501 . . . . 0.0 110.012 -170.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -129.36 146.11 51.29 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.681 1.192 . . . . 0.0 112.735 172.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.97 25.45 1.65 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.407 1.483 . . . . 0.0 114.331 -174.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.74 79.7 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.721 1.629 . . . . 0.0 115.433 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -125.59 149.31 48.49 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.131 1.772 . . . . 0.0 111.281 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.32 128.35 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.203 0.601 . . . . 0.0 110.156 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.1 mt -71.12 124.1 23.65 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.029 1.732 . . . . 0.0 110.943 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -72.25 124.25 24.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.221 1.008 . . . . 0.0 111.228 177.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.58 -49.78 45.17 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.279 1.832 . . . . 0.0 114.308 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.98 -9.72 59.24 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.71 1.204 . . . . 0.0 113.986 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.4 m -85.6 146.65 26.77 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.74 1.216 . . . . 0.0 110.945 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.8 156.3 34.65 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.06 -32.76 74.16 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.86 -25.72 65.27 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.968 1.307 . . . . 0.0 114.044 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -66.2 -15.73 63.41 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.607 1.163 . . . . 0.0 113.614 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -116.41 -2.43 12.06 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.738 1.615 . . . . 0.0 112.863 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 45.1 39.56 4.0 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.862 2.465 . . . . 0.0 114.054 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mt -58.72 142.58 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.121 1.369 . . . . 0.0 109.128 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -121.27 157.83 29.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.932 1.293 . . . . 0.0 111.378 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.55 -33.54 71.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -79.67 -32.65 41.5 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.178 1.391 . . . . 0.0 113.018 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -79.18 177.3 8.93 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.345 1.458 . . . . 0.0 111.192 173.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -130.89 145.2 51.94 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.906 -1.121 . . . . 0.0 113.55 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.84 164.45 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.631 1.972 . . . . 0.0 108.98 169.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.9 t -109.81 130.36 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.469 -0.77 . . . . 0.0 110.243 171.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.1 141.24 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 125.414 1.486 . . . . 0.0 109.37 171.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -135.93 164.66 27.45 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.099 0.959 . . . . 0.0 111.658 170.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 CA--C 1.534 0.336 0 C-N-CA 125.256 1.422 . . . . 0.0 109.74 174.792 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.63 -41.03 98.3 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.719 0.808 . . . . 0.0 112.517 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -71.25 -35.78 71.53 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.411 -0.805 . . . . 0.0 112.598 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -59.0 -46.2 88.75 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.257 0.935 . . . . 0.0 111.369 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.08 -52.64 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.466 1.106 . . . . 0.0 110.817 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.44 76.29 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.52 1.055 . . . . 0.0 113.253 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -62.25 -43.59 98.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.074 0.95 . . . . 0.0 111.876 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -56.73 -48.67 77.25 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.456 -0.777 . . . . 0.0 112.224 171.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 42.1 mtt -57.46 -45.12 85.12 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.775 1.23 . . . . 0.0 112.165 175.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -60.26 -40.27 89.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.991 0.916 . . . . 0.0 113.028 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 72.6 mtm -69.95 -41.49 74.47 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.273 -0.892 . . . . 0.0 111.635 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 125.373 1.469 . . . . 0.0 113.092 174.692 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 ttp . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 121.669 0.747 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -90.0 74.23 7.28 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 125.414 1.486 . . . . 0.0 112.045 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -63.05 136.07 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.018 1.727 . . . . 0.0 110.481 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 m -84.94 137.14 33.29 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.678 -0.639 . . . . 0.0 110.198 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.39 150.51 32.59 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.739 2.015 . . . . 0.0 110.534 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -137.67 126.73 24.31 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.175 1.79 . . . . 0.0 111.114 170.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -80.22 168.55 18.94 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.808 1.243 . . . . 0.0 112.284 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 mt -66.79 -18.91 65.61 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.864 -1.148 . . . . 0.0 114.072 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -83.45 6.48 20.07 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.031 1.332 . . . . 0.0 111.534 169.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 54.04 35.83 23.09 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.033 2.533 . . . . 0.0 114.172 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -87.87 140.43 29.51 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 169.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -127.13 136.72 52.5 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.82 0.819 . . . . 0.0 112.425 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -148.88 179.04 8.15 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.961 2.105 . . . . 0.0 109.438 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -119.81 151.82 38.24 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.725 0.81 . . . . 0.0 112.013 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 mm -131.11 108.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 127.128 2.171 . . . . 0.0 108.699 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -78.34 90.8 4.4 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.447 0.642 . . . . 0.0 110.799 170.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -106.28 145.72 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.212 1.805 . . . . 0.0 110.945 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -73.16 115.68 43.13 Favored Pre-proline 0 CA--C 1.553 1.065 0 O-C-N 121.028 -1.045 . . . . 0.0 110.782 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -72.24 -15.43 28.51 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.025 2.484 . . . . 0.0 114.123 -174.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -78.56 -18.19 55.01 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.268 0.94 . . . . 0.0 112.195 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.92 177.75 8.7 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.866 1.266 . . . . 0.0 112.134 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 43.7 p -93.41 174.57 7.14 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 122.397 1.094 . . . . 0.0 113.897 -174.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.76 -32.01 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.248 -0.908 . . . . 0.0 111.7 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -58.71 -36.5 74.36 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.038 -1.039 . . . . 0.0 112.018 170.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.43 77.95 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 tp -53.73 -54.95 30.85 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.693 -1.254 . . . . 0.0 110.347 169.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -51.18 -43.81 61.39 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.273 1.029 . . . . 0.0 113.431 170.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -46.18 89.05 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.436 1.016 . . . . 0.0 112.575 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -66.69 -38.47 86.83 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.892 0.877 . . . . 0.0 112.183 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.3 mt -60.39 -49.41 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.161 0.985 . . . . 0.0 110.825 170.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.24 -43.63 92.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.461 0.705 . . . . 0.0 111.514 177.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.6 t -60.39 -45.36 93.83 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.803 1.241 . . . . 0.0 112.51 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -67.61 -55.73 12.2 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.777 1.231 . . . . 0.0 112.724 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -88.68 -18.41 27.95 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 153.3 27.85 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 127.066 2.27 . . . . 0.0 113.366 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -62.96 -29.34 70.73 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.729 1.212 . . . . 0.0 113.252 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.71 -33.29 75.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.22 1.008 . . . . 0.0 112.611 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.09 -54.48 4.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.696 1.198 . . . . 0.0 112.058 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -139.61 77.4 28.25 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.109 1.364 . . . . 0.0 111.725 -172.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -72.11 142.29 37.86 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.829 2.352 . . . . 0.0 110.292 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.7 t -51.11 -46.87 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 120.872 -1.143 . . . . 0.0 111.751 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.99 -16.43 63.89 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.54 -21.28 7.66 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.531 1.539 . . . . 0.0 114.492 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -67.98 143.92 55.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.325 1.05 . . . . 0.0 113.319 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -131.83 138.43 48.49 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.523 1.929 . . . . 0.0 107.834 168.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -120.82 127.1 51.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.558 1.943 . . . . 0.0 110.332 -169.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.08 126.04 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.256 1.422 . . . . 0.0 110.235 -170.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -132.16 134.83 45.86 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.061 1.344 . . . . 0.0 110.733 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.36 34.7 6.78 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.21 15.83 76.88 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.211 1.862 . . . . 0.0 115.706 -177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -121.58 136.37 54.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.312 1.845 . . . . 0.0 110.323 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 mt -77.99 127.43 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.563 0.696 . . . . 0.0 109.747 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.3 mt -66.66 116.87 8.06 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.236 1.814 . . . . 0.0 110.36 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -69.88 124.63 24.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.175 0.99 . . . . 0.0 111.309 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.44 -50.12 42.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.253 1.821 . . . . 0.0 114.462 -172.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.38 -14.55 59.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.702 1.201 . . . . 0.0 113.941 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.2 m -79.66 146.7 32.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.851 1.26 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.97 159.03 31.28 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.49 -32.49 70.03 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.089 -1.007 . . . . 0.0 113.51 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -57.98 -25.93 61.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.785 1.234 . . . . 0.0 114.033 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -66.13 -18.3 65.26 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.779 1.232 . . . . 0.0 113.785 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -113.4 -3.28 13.78 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.635 1.574 . . . . 0.0 112.731 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 43.51 43.29 4.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.986 2.514 . . . . 0.0 113.654 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.2 mt -59.97 139.71 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.251 1.421 . . . . 0.0 109.345 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -109.01 158.65 17.52 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.482 1.113 . . . . 0.0 111.627 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -70.65 -39.86 73.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.004 0.921 . . . . 0.0 112.689 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -80.11 -31.65 39.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.099 1.36 . . . . 0.0 112.774 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -75.26 169.21 18.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.034 0.534 . . . . 0.0 110.872 170.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -116.27 149.22 39.58 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.883 0.873 . . . . 0.0 113.174 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.77 157.6 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.288 1.835 . . . . 0.0 108.549 169.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.7 t -105.36 129.09 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 121.859 -0.526 . . . . 0.0 110.097 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.1 p -115.25 137.18 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.393 1.477 . . . . 0.0 110.272 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.11 163.07 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.383 1.473 . . . . 0.0 111.055 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.469 0.494 0 C-N-CA 125.091 1.356 . . . . 0.0 108.921 177.169 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 111.416 0.154 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.36 -40.02 95.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.586 0.754 . . . . 0.0 112.91 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -65.83 -44.46 85.47 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.513 -0.742 . . . . 0.0 112.101 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -62.04 -42.3 99.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.564 0.746 . . . . 0.0 112.147 174.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.62 -52.05 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.32 1.048 . . . . 0.0 110.764 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.8 76.46 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.898 1.227 . . . . 0.0 112.841 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -61.63 -49.16 77.69 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.605 -0.684 . . . . 0.0 111.439 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.19 76.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.137 0.975 . . . . 0.0 113.411 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 46.4 mtt -56.07 -59.8 4.39 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.126 1.37 . . . . 0.0 110.898 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -54.28 -40.92 68.31 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.55 0.74 . . . . 0.0 112.361 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 39.8 ttp -61.64 -48.76 79.38 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.671 0.669 . . . . 0.0 112.159 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 172.833 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 121.574 0.702 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -85.99 76.44 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 125.045 1.338 . . . . 0.0 111.631 -172.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.26 131.78 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.109 1.363 . . . . 0.0 109.904 173.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.6 m -79.99 134.83 36.27 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.859 -0.526 . . . . 0.0 109.676 169.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.59 150.87 26.9 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.381 1.472 . . . . 0.0 110.938 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -138.84 133.74 32.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.698 1.599 . . . . 0.0 111.707 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 p -91.85 168.82 11.17 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.36 1.464 . . . . 0.0 112.467 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.4 mt -66.66 -23.96 66.22 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -78.8 8.25 5.76 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.526 1.53 . . . . 0.0 112.06 169.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 57.01 28.1 14.29 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.73 2.412 . . . . 0.0 114.118 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -89.28 151.59 22.03 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.403 1.081 . . . . 0.0 109.441 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.0 p -131.73 142.21 49.73 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.9 0.857 . . . . 0.0 113.032 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -144.46 -178.5 6.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.02 2.128 . . . . 0.0 110.331 -172.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.35 149.42 52.56 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.136 -0.978 . . . . 0.0 111.917 171.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mm -133.67 110.37 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.785 2.034 . . . . 0.0 108.968 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -77.7 93.86 4.34 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.422 0.63 . . . . 0.0 110.753 170.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.414 HD12 ' H ' ' A' ' 18' ' ' ASP . 5.3 tp -110.71 147.79 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.522 1.929 . . . . 0.0 111.346 -177.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.414 ' H ' HD12 ' A' ' 17' ' ' ILE . 21.6 t0 -76.77 116.21 54.83 Favored Pre-proline 0 CA--C 1.554 1.133 0 O-C-N 121.055 -1.028 . . . . 0.0 111.13 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.29 -13.29 25.56 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.294 2.663 . . . . 0.0 114.852 -173.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.85 -15.37 48.44 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.488 1.04 . . . . 0.0 112.64 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -77.48 173.86 11.5 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.375 1.084 . . . . 0.0 112.02 170.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 49.4 p -88.51 172.91 8.99 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 122.144 0.973 . . . . 0.0 113.331 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.5 t -57.51 -30.68 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.431 1.092 . . . . 0.0 111.788 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -59.07 -33.46 70.83 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.92 -1.113 . . . . 0.0 113.196 172.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.52 -38.48 71.09 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.011 0.823 . . . . 0.0 112.853 172.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.8 tp -54.18 -54.12 44.14 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.395 -1.44 . . . . 0.0 110.399 169.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -51.88 -42.78 62.93 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.107 1.363 . . . . 0.0 113.511 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -46.41 89.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.155 0.982 . . . . 0.0 112.553 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.52 -41.02 96.65 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.49 0.716 . . . . 0.0 111.907 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.64 -48.78 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.876 0.87 . . . . 0.0 110.819 174.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.46 -46.02 89.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.198 0.599 . . . . 0.0 111.542 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.1 t -58.26 -48.21 81.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.62 1.168 . . . . 0.0 112.532 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.79 -58.62 4.7 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.151 1.38 . . . . 0.0 112.832 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -81.84 -17.1 48.62 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.26 148.99 21.39 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 127.063 2.268 . . . . 0.0 112.863 -174.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -62.19 -27.79 69.22 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.571 1.148 . . . . 0.0 113.149 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -66.45 -35.02 79.25 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.496 1.118 . . . . 0.0 112.673 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.37 -49.8 6.15 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.512 1.125 . . . . 0.0 112.37 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -136.33 74.36 54.81 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.874 1.269 . . . . 0.0 111.618 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.44 142.93 50.74 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 122.58 2.186 . . . . 0.0 109.848 173.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.46 -44.08 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.721 -1.237 . . . . 0.0 111.39 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.25 -18.74 63.88 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.49 -22.41 5.8 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.867 1.698 . . . . 0.0 114.644 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -64.34 148.1 51.09 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.709 1.204 . . . . 0.0 113.135 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -134.64 145.63 48.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 127.637 2.375 . . . . 0.0 107.587 168.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.51 123.88 34.67 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 126.352 1.861 . . . . 0.0 110.091 -169.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mp -131.46 125.86 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.695 1.198 . . . . 0.0 110.39 -171.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -130.34 141.56 50.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.827 1.251 . . . . 0.0 111.306 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.56 27.18 1.38 Allowed 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.62 82.82 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.552 2.025 . . . . 0.0 116.072 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -121.7 138.49 54.33 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.134 1.467 . . . . 0.0 111.831 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -72.76 125.49 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.763 0.825 . . . . 0.0 109.896 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.9 mt -68.08 118.22 10.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.393 1.877 . . . . 0.0 110.726 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -68.52 127.07 31.66 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.893 0.877 . . . . 0.0 111.327 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -56.26 -41.01 75.11 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -170.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.87 -12.31 57.52 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.876 1.27 . . . . 0.0 113.76 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.4 m -82.29 148.1 28.53 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.92 1.288 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -77.12 156.82 31.39 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.736 1.014 . . . . 0.0 113.736 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.64 -31.15 71.65 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.34 -0.85 . . . . 0.0 112.75 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -47.61 -40.8 20.42 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.778 2.031 . . . . 0.0 113.2 170.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.99 -21.19 66.81 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.419 1.487 . . . . 0.0 114.095 -173.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -110.45 -1.0 17.25 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.913 1.685 . . . . 0.0 112.534 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 mptt 48.26 36.83 7.38 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.897 2.479 . . . . 0.0 113.686 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.25 133.68 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.432 1.493 . . . . 0.0 109.841 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.0 159.13 15.79 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.217 1.007 . . . . 0.0 111.458 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.14 -42.58 75.79 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.366 -0.834 . . . . 0.0 112.657 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -75.81 -33.93 60.13 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.905 1.282 . . . . 0.0 112.913 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -79.0 167.33 21.26 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.196 0.598 . . . . 0.0 110.962 172.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -114.19 144.31 43.41 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.59 155.77 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.935 1.694 . . . . 0.0 107.69 168.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.5 t -106.66 130.06 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.684 -0.635 . . . . 0.0 110.006 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.51 134.9 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.445 1.498 . . . . 0.0 110.242 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.5 ptm -133.24 167.16 20.87 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.993 1.317 . . . . 0.0 111.177 169.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 125.001 1.32 . . . . 0.0 109.276 178.392 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.09 -39.41 93.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.137 0.975 . . . . 0.0 113.058 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -67.63 -42.67 81.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.293 -0.879 . . . . 0.0 112.334 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -60.74 -43.2 98.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.914 0.886 . . . . 0.0 111.421 173.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 48.9 mt -57.6 -52.65 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.498 1.119 . . . . 0.0 111.421 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.86 -33.08 73.54 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.705 1.139 . . . . 0.0 113.513 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -61.98 -48.87 78.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.596 1.159 . . . . 0.0 111.266 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.6 -44.17 76.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.931 0.892 . . . . 0.0 113.202 171.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 49.2 mtt -56.78 -56.36 22.55 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.899 1.28 . . . . 0.0 111.814 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -54.85 -40.33 69.52 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.727 0.811 . . . . 0.0 112.693 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.9 -54.04 47.4 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.917 0.78 . . . . 0.0 111.965 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ptm . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.762 0.315 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -87.59 80.35 8.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.138 0.975 . . . . 0.0 111.137 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.11 123.82 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.981 0.912 . . . . 0.0 109.279 173.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.3 m -79.32 139.41 37.82 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.042 0.448 . . . . 0.0 109.844 170.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.6 mt -116.47 153.99 31.16 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 125.615 1.566 . . . . 0.0 111.382 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -133.79 130.6 38.22 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 126.065 1.746 . . . . 0.0 109.986 169.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 p -87.28 169.11 12.59 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.823 1.249 . . . . 0.0 111.667 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -70.22 -18.68 63.17 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.047 -1.033 . . . . 0.0 113.42 171.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -81.92 5.24 19.66 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.263 1.425 . . . . 0.0 111.756 169.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 58.97 28.88 18.23 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.989 2.516 . . . . 0.0 114.454 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -86.36 153.6 21.82 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.881 0.872 . . . . 0.0 108.976 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 p -133.55 140.71 47.34 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.514 -0.741 . . . . 0.0 112.711 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -144.78 171.56 14.24 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.568 1.947 . . . . 0.0 110.789 -172.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -125.6 143.34 51.06 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.553 1.141 . . . . 0.0 111.408 169.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mm -130.66 111.62 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.551 1.94 . . . . 0.0 109.245 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -73.59 97.44 2.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.299 0.64 . . . . 0.0 111.008 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.481 HD12 ' H ' ' A' ' 18' ' ' ASP . 6.2 tp -109.8 147.07 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 126.388 1.875 . . . . 0.0 112.126 -175.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.481 ' H ' HD12 ' A' ' 17' ' ' ILE . 12.0 m-20 -78.01 111.48 18.51 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.172 1.789 . . . . 0.0 111.182 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.4 -21.55 35.02 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.131 2.554 . . . . 0.0 114.025 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.77 -16.66 61.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.809 1.244 . . . . 0.0 112.889 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -86.35 179.0 6.97 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.84 1.256 . . . . 0.0 111.705 170.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 47.8 p -94.43 176.32 6.34 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -59.79 -33.46 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 121.061 -1.024 . . . . 0.0 111.496 171.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.85 -31.86 70.15 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.159 -0.963 . . . . 0.0 112.397 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.76 -35.38 65.0 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -55.19 -54.06 48.09 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.675 -1.266 . . . . 0.0 109.499 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -50.67 -44.91 57.85 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.335 1.454 . . . . 0.0 113.735 169.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -41.59 99.0 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.99 1.268 . . . . 0.0 113.173 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -65.51 -39.88 92.36 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.695 1.198 . . . . 0.0 111.876 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.1 -49.83 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.392 1.077 . . . . 0.0 110.722 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.94 -42.57 85.18 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.095 0.861 . . . . 0.0 111.61 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -61.25 -44.28 97.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.513 1.525 . . . . 0.0 112.855 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.01 -57.66 3.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.603 1.161 . . . . 0.0 112.74 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -80.44 -18.46 48.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.706 1.603 . . . . 0.0 113.923 -171.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.52 134.26 5.73 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 126.527 2.013 . . . . 0.0 113.555 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -56.18 -22.0 26.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.914 2.486 . . . . 0.0 114.619 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.5 -29.85 69.34 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.865 1.266 . . . . 0.0 113.386 171.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.99 -36.3 3.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.107 1.363 . . . . 0.0 113.18 -173.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -134.5 68.72 72.79 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.65 1.58 . . . . 0.0 111.59 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.57 144.93 51.08 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.561 2.174 . . . . 0.0 110.676 174.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.4 t -52.22 -43.71 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.648 1.179 . . . . 0.0 111.284 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.61 -15.0 62.31 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.63 -23.46 4.37 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.243 1.402 . . . . 0.0 114.911 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.61 144.86 56.69 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.855 1.328 . . . . 0.0 113.339 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -130.34 143.98 51.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.457 1.903 . . . . 0.0 108.315 168.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 123.49 38.4 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.305 1.842 . . . . 0.0 110.256 -169.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.85 128.89 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.752 1.221 . . . . 0.0 111.007 -170.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -131.67 140.99 49.48 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.676 1.19 . . . . 0.0 111.482 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.79 33.08 4.05 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.21 18.2 79.74 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 126.608 2.051 . . . . 0.0 115.525 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -128.65 129.88 46.46 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.388 1.875 . . . . 0.0 110.761 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -67.81 126.11 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 121.429 0.633 . . . . 0.0 110.339 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.7 mt -67.21 119.64 12.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.118 1.767 . . . . 0.0 110.248 175.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -68.88 126.17 28.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.578 0.751 . . . . 0.0 111.259 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.64 -49.42 65.2 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.842 1.657 . . . . 0.0 113.965 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.98 -13.5 60.24 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.237 1.415 . . . . 0.0 113.909 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.0 m -81.68 146.51 29.99 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.23 . . . . 0.0 110.795 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.59 158.26 31.28 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.84 -29.59 66.89 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.098 -1.001 . . . . 0.0 113.205 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.11 -21.27 61.33 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.173 1.389 . . . . 0.0 113.935 173.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -73.01 -14.59 61.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.053 1.341 . . . . 0.0 113.673 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -119.24 -4.05 10.52 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.309 1.443 . . . . 0.0 113.297 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 46.92 37.12 4.55 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.876 2.47 . . . . 0.0 114.166 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.3 mt -59.5 141.26 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.686 1.594 . . . . 0.0 110.31 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -103.66 163.81 12.08 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.237 1.415 . . . . 0.0 111.978 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -85.25 -39.52 17.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.394 1.078 . . . . 0.0 112.908 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -76.2 -39.33 54.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.717 1.607 . . . . 0.0 111.969 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -76.31 164.46 26.01 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.859 1.264 . . . . 0.0 110.589 171.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -116.36 147.87 41.17 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -175.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.99 165.17 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 127.866 2.467 . . . . 0.0 107.97 169.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.8 t -111.81 126.81 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.161 -0.962 . . . . 0.0 111.026 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.63 136.69 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.389 1.476 . . . . 0.0 109.726 171.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -137.76 169.96 16.89 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.037 1.335 . . . . 0.0 111.153 170.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.467 0.418 0 C-N-CA 124.642 1.177 . . . . 0.0 109.686 177.226 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.06 -35.65 79.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.128 0.971 . . . . 0.0 113.243 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -73.4 -42.4 62.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.221 1.008 . . . . 0.0 111.406 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.36 -43.37 92.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.061 0.944 . . . . 0.0 111.647 171.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 53.3 mt -58.36 -53.63 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.67 1.188 . . . . 0.0 110.94 171.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.88 75.87 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 120.115 1.325 . . . . 0.0 113.413 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -61.55 -45.93 92.06 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.461 1.104 . . . . 0.0 111.668 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.84 81.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.897 0.879 . . . . 0.0 112.851 171.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 44.5 mtt -55.59 -52.04 65.11 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.269 1.428 . . . . 0.0 111.61 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -55.66 -45.53 77.68 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.62 0.768 . . . . 0.0 112.624 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.8 mtm -64.37 -44.1 92.45 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.863 0.756 . . . . 0.0 112.202 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 36.5 p . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 178.539 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptm . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.646 0.26 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -86.81 88.24 7.64 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.142 0.977 . . . . 0.0 110.585 -176.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.1 t -68.51 121.14 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.303 1.041 . . . . 0.0 109.067 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.5 m -79.15 141.42 37.26 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 170.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.1 mt -119.5 151.78 38.03 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.803 1.641 . . . . 0.0 111.501 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -132.18 125.35 30.98 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.03 1.732 . . . . 0.0 110.522 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 p -82.94 164.65 20.3 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.289 1.436 . . . . 0.0 111.401 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.7 mt -70.71 -21.11 62.6 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.19 -0.944 . . . . 0.0 113.319 172.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -76.15 6.07 5.92 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.256 1.422 . . . . 0.0 112.113 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 65.28 22.86 12.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.934 2.493 . . . . 0.0 113.826 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -89.08 157.11 18.44 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.355 1.062 . . . . 0.0 109.745 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.0 p -133.88 144.57 48.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.741 0.782 . . . . 0.0 112.271 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -146.2 178.0 8.56 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 127.044 2.138 . . . . 0.0 110.282 -172.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -134.08 153.08 52.03 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.088 -1.008 . . . . 0.0 111.853 169.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mm -136.94 114.86 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 126.51 1.924 . . . . 0.0 109.506 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -75.66 109.42 9.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 122.605 0.362 . . . . 0.0 110.509 169.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.415 HD13 ' H ' ' A' ' 18' ' ' ASP . 6.0 tp -126.8 151.9 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 127.027 2.131 . . . . 0.0 111.49 -173.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.415 ' H ' HD13 ' A' ' 17' ' ' ILE . 19.5 t0 -84.14 121.17 75.48 Favored Pre-proline 0 CA--C 1.555 1.136 0 O-C-N 121.098 -1.001 . . . . 0.0 111.683 176.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.78 -18.81 31.96 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.29 2.66 . . . . 0.0 115.277 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.27 -20.88 56.95 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.243 0.929 . . . . 0.0 111.943 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.28 178.77 8.06 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.707 1.203 . . . . 0.0 111.825 169.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 42.1 p -101.18 176.22 5.33 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -169.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.01 -34.18 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.698 0.799 . . . . 0.0 111.059 170.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.65 -31.82 71.95 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.14 -0.975 . . . . 0.0 112.754 171.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.82 64.58 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.506 1.048 . . . . 0.0 112.894 171.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 tp -54.74 -52.72 61.62 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.69 -1.256 . . . . 0.0 109.78 169.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -51.07 -45.54 61.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.768 1.227 . . . . 0.0 113.379 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -43.17 93.05 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.776 1.171 . . . . 0.0 112.505 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -65.51 -43.02 91.41 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.608 0.763 . . . . 0.0 112.885 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.93 -48.68 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.447 0.699 . . . . 0.0 110.401 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -46.36 88.87 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.512 1.125 . . . . 0.0 111.507 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 t -56.75 -46.71 81.23 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.885 1.674 . . . . 0.0 112.575 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.98 -56.56 4.8 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.19 1.396 . . . . 0.0 112.647 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -85.82 -17.51 35.51 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.828 1.251 . . . . 0.0 114.046 -170.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.96 149.35 23.98 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 127.16 2.314 . . . . 0.0 113.457 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -63.04 -25.68 68.49 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.939 1.295 . . . . 0.0 113.165 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -65.68 -28.84 69.37 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.57 1.148 . . . . 0.0 112.932 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.6 -48.16 4.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.901 1.28 . . . . 0.0 112.234 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.97 73.27 46.14 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.304 1.442 . . . . 0.0 111.832 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -71.77 147.49 50.55 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.666 2.244 . . . . 0.0 110.731 173.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.1 t -53.94 -47.27 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 C-N-CA 124.883 1.273 . . . . 0.0 112.765 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.9 76.74 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.21 -36.89 26.23 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.681 1.134 . . . . 0.0 113.145 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -55.14 151.8 8.8 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.238 1.015 . . . . 0.0 113.259 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -140.93 151.54 44.3 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.927 2.491 . . . . 0.0 107.415 168.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.19 121.12 22.07 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.716 1.606 . . . . 0.0 110.006 -169.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.64 123.21 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.821 1.248 . . . . 0.0 110.844 -169.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -132.38 147.73 52.39 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.97 1.308 . . . . 0.0 111.613 173.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.63 24.39 1.65 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.796 1.239 . . . . 0.0 114.284 -174.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.97 18.12 79.58 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.932 1.729 . . . . 0.0 115.695 -173.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -126.08 137.8 53.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.365 1.866 . . . . 0.0 111.229 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -71.12 126.54 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.458 0.703 . . . . 0.0 110.758 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.38 133.73 45.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.804 1.642 . . . . 0.0 111.045 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -73.88 124.42 26.1 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.805 0.842 . . . . 0.0 111.973 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.51 -46.32 27.31 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.833 1.653 . . . . 0.0 113.971 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.46 -12.31 52.21 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.397 1.479 . . . . 0.0 114.476 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.1 m -83.2 141.62 31.78 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.858 -1.151 . . . . 0.0 110.726 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.94 150.79 40.61 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.92 -34.64 78.43 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.296 -0.877 . . . . 0.0 112.965 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -55.23 -25.1 31.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.451 1.5 . . . . 0.0 114.619 172.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.87 -20.66 61.77 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.512 1.125 . . . . 0.0 113.082 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -105.89 -6.28 19.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.006 1.723 . . . . 0.0 112.929 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.62 43.48 4.76 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.144 2.578 . . . . 0.0 114.137 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.5 mt -58.25 140.65 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.78 1.632 . . . . 0.0 109.156 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -115.69 141.81 47.58 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.396 1.078 . . . . 0.0 111.936 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.44 -25.52 67.27 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.123 0.969 . . . . 0.0 112.522 175.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -66.4 -21.61 66.22 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.307 2.243 . . . . 0.0 114.254 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -118.56 176.74 5.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.941 1.697 . . . . 0.0 111.225 -174.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -115.98 150.99 36.29 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.98 0.912 . . . . 0.0 112.618 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.76 163.05 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 127.15 2.18 . . . . 0.0 108.709 169.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.3 t -107.34 123.56 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.606 -0.684 . . . . 0.0 110.271 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.19 139.5 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.341 1.456 . . . . 0.0 109.656 172.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.8 ptm -139.75 167.85 21.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.398 1.079 . . . . 0.0 111.096 169.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 CA--C 1.533 0.295 0 C-N-CA 124.424 1.09 . . . . 0.0 110.498 179.315 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.7 -40.54 88.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.502 0.721 . . . . 0.0 112.344 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -67.78 -40.07 84.0 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.469 -0.769 . . . . 0.0 112.276 175.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -59.69 -45.36 92.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.557 1.143 . . . . 0.0 111.713 171.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 46.5 mt -57.42 -51.89 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.894 0.877 . . . . 0.0 111.004 171.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.08 -34.41 76.24 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.913 -1.117 . . . . 0.0 113.491 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -62.94 -43.15 99.59 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.112 -0.993 . . . . 0.0 111.937 170.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.22 84.99 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.822 0.849 . . . . 0.0 112.306 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 47.8 mtt -57.66 -44.4 85.68 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.598 1.159 . . . . 0.0 112.115 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -62.14 -47.12 85.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.042 0.837 . . . . 0.0 112.724 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 62.2 mtm -61.53 -40.22 93.87 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.832 0.742 . . . . 0.0 112.014 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 CA--C 1.54 0.577 0 C-N-CA 124.826 1.25 . . . . 0.0 112.826 171.741 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ptm . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -94.96 74.14 3.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.353 1.061 . . . . 0.0 111.148 -170.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.31 134.25 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.537 1.535 . . . . 0.0 109.691 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 m -79.86 131.22 35.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 169.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.34 148.37 26.46 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 126.408 1.883 . . . . 0.0 110.207 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -138.18 124.71 20.76 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.507 1.523 . . . . 0.0 111.167 173.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -81.94 168.32 18.01 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.316 1.046 . . . . 0.0 111.859 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -68.44 -21.82 64.63 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.022 -1.049 . . . . 0.0 113.541 170.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -77.35 5.06 9.37 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.743 1.217 . . . . 0.0 111.783 169.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 63.75 26.23 14.39 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.265 2.626 . . . . 0.0 113.861 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -89.12 144.1 26.37 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.442 1.097 . . . . 0.0 109.933 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.7 p -132.63 136.41 46.48 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 122.139 0.971 . . . . 0.0 113.432 -171.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -150.63 177.87 9.63 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 128.082 2.553 . . . . 0.0 109.884 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -108.59 155.33 20.79 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.102 -0.999 . . . . 0.0 113.396 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.5 mm -128.48 112.03 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 127.263 2.225 . . . . 0.0 108.588 171.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -76.53 105.58 7.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.937 0.495 . . . . 0.0 110.323 169.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.45 HD13 ' H ' ' A' ' 18' ' ' ASP . 6.3 tp -124.11 153.37 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 126.231 1.812 . . . . 0.0 111.623 -174.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.45 ' H ' HD13 ' A' ' 17' ' ' ILE . 9.8 t70 -85.23 124.8 71.51 Favored Pre-proline 0 CA--C 1.555 1.16 0 O-C-N 121.078 -1.014 . . . . 0.0 111.872 175.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.26 -22.01 26.09 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.38 2.72 . . . . 0.0 115.51 -175.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -79.99 -21.01 44.16 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.242 0.928 . . . . 0.0 111.855 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -74.91 170.59 15.65 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.21 1.005 . . . . 0.0 110.783 169.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 32.9 p -92.84 175.61 6.74 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 122.285 1.041 . . . . 0.0 113.58 -173.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.2 t -58.99 -30.78 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.793 0.837 . . . . 0.0 111.565 173.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -60.1 -32.27 70.82 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.072 -1.017 . . . . 0.0 112.811 170.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.59 -36.06 62.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.181 0.9 . . . . 0.0 112.826 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.24 -54.14 47.22 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.675 -1.266 . . . . 0.0 109.526 169.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -50.18 -45.87 53.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.856 1.262 . . . . 0.0 113.547 169.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -44.07 93.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.738 1.154 . . . . 0.0 112.757 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -69.9 -36.14 75.18 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.436 0.694 . . . . 0.0 112.404 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.52 -50.95 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.908 0.883 . . . . 0.0 110.569 169.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.85 -41.02 85.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.546 0.738 . . . . 0.0 111.419 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.5 m -62.91 -44.41 96.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.605 1.162 . . . . 0.0 112.834 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.34 -54.02 12.21 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.8 1.24 . . . . 0.0 112.42 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -89.98 -16.16 30.44 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.43 1.492 . . . . 0.0 114.085 -170.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.89 154.49 21.8 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.046 2.26 . . . . 0.0 113.221 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -60.84 -26.58 67.45 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.061 0.944 . . . . 0.0 113.083 173.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -60.88 -36.69 79.88 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.736 1.214 . . . . 0.0 112.447 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.24 -52.3 4.88 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.642 1.177 . . . . 0.0 112.086 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -141.13 78.62 18.89 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.908 1.283 . . . . 0.0 112.532 -169.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.39 139.73 29.27 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.044 2.496 . . . . 0.0 110.191 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.7 t -50.64 -47.44 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.705 -1.247 . . . . 0.0 112.469 -176.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -25.22 67.74 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.69 -28.3 9.01 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.052 1.311 . . . . 0.0 113.937 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -58.31 156.18 10.44 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.863 1.265 . . . . 0.0 113.287 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -141.02 148.62 40.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.913 2.485 . . . . 0.0 107.294 167.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.23 120.81 25.05 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 126.231 1.813 . . . . 0.0 109.416 -169.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.69 127.95 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.719 1.208 . . . . 0.0 110.797 -169.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -133.67 143.1 48.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.215 1.406 . . . . 0.0 111.07 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.58 29.68 3.15 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.0 13.97 82.81 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 126.791 2.139 . . . . 0.0 115.833 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -128.57 136.28 50.51 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.161 1.784 . . . . 0.0 111.715 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -70.47 129.45 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.488 0.715 . . . . 0.0 110.808 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.2 mt -73.59 128.03 34.37 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.111 1.765 . . . . 0.0 111.016 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -69.88 122.87 20.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.119 0.968 . . . . 0.0 111.713 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -47.75 -41.3 22.78 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.066 1.746 . . . . 0.0 114.574 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.25 -14.63 35.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.363 1.465 . . . . 0.0 113.891 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.9 m -84.47 145.56 28.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.328 1.051 . . . . 0.0 110.79 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.71 154.91 36.14 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.24 -33.06 74.9 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.356 -0.84 . . . . 0.0 113.043 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -51.77 -34.58 40.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.562 1.545 . . . . 0.0 113.059 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.02 -16.58 64.1 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.439 1.496 . . . . 0.0 113.879 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -109.22 -4.01 16.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.986 1.715 . . . . 0.0 112.948 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 48.58 36.16 7.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.54 2.336 . . . . 0.0 114.087 177.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.23 136.22 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.487 1.515 . . . . 0.0 110.152 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -100.6 156.46 17.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.242 1.017 . . . . 0.0 112.141 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -81.42 -24.9 36.59 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.872 0.869 . . . . 0.0 113.25 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -84.02 -37.67 21.88 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.699 1.6 . . . . 0.0 112.08 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -74.95 172.18 12.74 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.384 1.074 . . . . 0.0 111.526 172.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -117.54 150.3 39.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.459 1.104 . . . . 0.0 113.367 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.12 155.35 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 127.251 2.22 . . . . 0.0 108.234 169.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.9 t -105.96 131.33 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.71 -0.619 . . . . 0.0 110.048 174.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -116.95 138.35 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.38 1.472 . . . . 0.0 110.343 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -140.34 171.15 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.497 1.519 . . . . 0.0 111.09 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 CA--C 1.537 0.451 0 C-N-CA 125.329 1.452 . . . . 0.0 108.867 172.131 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.3 -43.0 82.79 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.805 0.842 . . . . 0.0 112.858 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.09 -32.57 70.7 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.753 1.16 . . . . 0.0 112.681 174.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -63.34 -43.9 96.41 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.115 0.87 . . . . 0.0 111.106 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 53.2 mt -59.98 -49.51 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.905 1.282 . . . . 0.0 111.051 169.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.87 75.74 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.824 -1.172 . . . . 0.0 113.433 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.54 -43.71 98.36 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.292 1.037 . . . . 0.0 111.645 169.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.47 85.19 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.244 1.018 . . . . 0.0 112.898 171.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 46.2 mtt -54.37 -55.1 31.96 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 125.461 1.504 . . . . 0.0 111.281 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -49.64 -47.77 49.7 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.396 1.079 . . . . 0.0 112.679 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 78.6 mtm -59.53 -54.24 48.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.872 0.76 . . . . 0.0 112.319 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 177.657 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -85.28 85.85 7.42 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.465 1.106 . . . . 0.0 111.078 -174.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.25 116.51 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.32 1.048 . . . . 0.0 109.14 171.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.0 m -79.08 140.47 37.86 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.817 -0.552 . . . . 0.0 109.63 170.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.6 mt -116.88 151.14 37.21 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 111.374 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -132.75 138.14 47.08 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.549 1.94 . . . . 0.0 110.198 169.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 p -99.82 167.2 10.68 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.508 1.123 . . . . 0.0 112.127 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.09 -24.08 67.34 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.765 0.826 . . . . 0.0 113.055 170.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -81.33 6.47 14.22 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.69 1.596 . . . . 0.0 112.796 171.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 64.81 23.72 12.72 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.015 2.126 . . . . 0.0 113.722 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -88.92 156.72 18.73 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.482 1.113 . . . . 0.0 109.446 173.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.5 p -135.24 143.84 46.55 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.713 0.768 . . . . 0.0 112.437 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -146.16 178.13 8.46 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.137 2.175 . . . . 0.0 110.193 -175.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -133.54 151.82 51.8 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.019 -1.051 . . . . 0.0 112.008 169.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -134.15 110.56 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 126.713 2.005 . . . . 0.0 108.794 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -73.6 107.35 5.82 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -124.45 152.66 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 127.168 2.187 . . . . 0.0 110.559 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -74.81 114.75 37.65 Favored Pre-proline 0 CA--C 1.55 0.971 0 O-C-N 121.039 -1.038 . . . . 0.0 111.212 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.52 -21.92 29.3 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.855 2.37 . . . . 0.0 113.54 -173.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -67.95 -22.44 65.04 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.328 1.051 . . . . 0.0 112.875 169.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -81.75 -177.92 6.76 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 122.542 1.163 . . . . 0.0 111.75 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 46.5 p -97.16 173.71 7.1 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -169.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.0 t -59.36 -39.42 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.413 1.085 . . . . 0.0 110.675 169.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -59.14 -38.2 79.1 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.96 1.304 . . . . 0.0 112.62 170.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.46 94.43 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.309 0.959 . . . . 0.0 113.005 170.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.49 -53.13 58.45 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.699 -1.25 . . . . 0.0 110.888 169.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -53.64 -40.57 65.95 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -49.59 68.73 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.497 1.519 . . . . 0.0 111.936 170.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -69.73 -36.87 76.22 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.743 1.217 . . . . 0.0 112.378 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.35 -51.35 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.779 1.231 . . . . 0.0 110.506 169.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.34 -44.61 84.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.205 1.002 . . . . 0.0 111.626 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -57.46 -50.17 73.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.078 1.351 . . . . 0.0 112.615 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -69.9 -54.31 14.01 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.266 1.026 . . . . 0.0 113.085 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -84.73 -18.86 33.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.966 1.307 . . . . 0.0 114.176 -170.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.38 148.12 21.16 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 127.083 2.278 . . . . 0.0 113.412 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.49 -31.19 71.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.094 1.358 . . . . 0.0 113.516 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -65.58 -35.62 81.35 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.064 0.945 . . . . 0.0 112.614 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.18 -49.94 6.95 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.532 1.133 . . . . 0.0 112.168 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -138.56 77.49 34.02 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.084 1.353 . . . . 0.0 111.643 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.25 148.46 55.58 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.697 2.265 . . . . 0.0 110.418 173.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.68 -45.0 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 124.203 1.001 . . . . 0.0 112.707 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.08 81.28 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.17 -39.33 58.26 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.272 0.939 . . . . 0.0 112.779 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -53.35 141.28 24.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.35 1.06 . . . . 0.0 112.897 172.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -130.0 151.79 50.17 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.643 1.977 . . . . 0.0 108.689 169.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.58 114.65 15.72 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.013 1.725 . . . . 0.0 109.842 -169.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.48 124.62 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.696 1.198 . . . . 0.0 110.353 -170.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -131.87 147.4 52.47 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.767 1.227 . . . . 0.0 111.789 175.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.87 28.39 3.69 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.84 12.92 82.16 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.607 2.051 . . . . 0.0 115.845 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -133.67 140.58 47.15 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.126 1.771 . . . . 0.0 112.227 -178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -70.41 128.3 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.6 -0.688 . . . . 0.0 110.344 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.05 137.62 47.28 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.433 1.493 . . . . 0.0 110.998 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -72.83 123.4 23.31 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.536 -0.727 . . . . 0.0 111.067 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -53.43 -41.23 65.85 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -173.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -85.41 -9.93 56.89 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.136 0.974 . . . . 0.0 113.61 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.5 m -85.14 147.64 26.52 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.207 1.403 . . . . 0.0 110.919 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.87 156.9 37.22 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.93 -36.9 84.64 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -64.8 -19.53 65.88 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.285 1.434 . . . . 0.0 114.048 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.76 -18.83 65.61 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.461 1.104 . . . . 0.0 113.45 173.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -113.28 1.54 15.22 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.804 1.642 . . . . 0.0 112.479 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 47.31 36.73 5.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 128.027 2.531 . . . . 0.0 114.06 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.7 mt -56.97 136.27 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.784 1.233 . . . . 0.0 109.312 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -115.9 157.76 24.01 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.114 1.366 . . . . 0.0 111.34 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.64 -23.79 58.73 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.99 -34.85 20.7 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.695 1.198 . . . . 0.0 113.164 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -77.96 174.17 11.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.368 1.067 . . . . 0.0 111.23 172.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -125.3 152.36 44.78 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.62 162.46 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 127.048 2.139 . . . . 0.0 109.177 169.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.2 t -105.12 128.29 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.516 -0.74 . . . . 0.0 110.834 170.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.73 134.91 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 125.765 1.626 . . . . 0.0 109.836 170.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -137.46 168.92 18.68 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.791 1.237 . . . . 0.0 110.686 169.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 CA--C 1.536 0.404 0 C-N-CA 124.365 1.066 . . . . 0.0 110.427 178.39 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.39 -29.81 70.56 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.743 0.817 . . . . 0.0 113.103 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -78.03 -36.81 48.18 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.203 -0.936 . . . . 0.0 111.892 174.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -59.08 -45.42 90.87 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.553 0.741 . . . . 0.0 110.285 170.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 48.5 mt -57.84 -51.54 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.261 1.424 . . . . 0.0 111.437 170.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.59 73.09 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.052 1.296 . . . . 0.0 113.549 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -61.78 -46.64 88.68 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.465 -0.772 . . . . 0.0 111.667 170.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.81 86.94 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 171.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 43.7 mtt -55.45 -57.17 13.01 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.608 1.163 . . . . 0.0 110.65 174.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -53.19 -47.62 68.71 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.233 0.924 . . . . 0.0 112.754 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 67.2 mtm -60.41 -49.15 78.7 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.413 -0.804 . . . . 0.0 112.375 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 179.379 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -111.97 75.55 0.92 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.559 1.144 . . . . 0.0 109.819 -174.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.34 151.17 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.92 1.288 . . . . 0.0 112.36 -178.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.6 m -91.88 138.45 31.54 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 168.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.63 152.87 32.31 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.686 1.994 . . . . 0.0 110.395 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -137.42 141.71 41.65 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.864 1.666 . . . . 0.0 111.458 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 p -106.07 164.33 12.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.548 1.539 . . . . 0.0 111.963 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.97 -24.59 65.17 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.249 -0.907 . . . . 0.0 112.972 173.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -74.14 5.19 4.61 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.801 2.041 . . . . 0.0 112.688 171.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 68.17 20.46 8.89 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.065 2.146 . . . . 0.0 113.281 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -89.37 152.76 21.34 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.113 0.965 . . . . 0.0 110.201 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -136.17 138.02 41.52 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.001 0.92 . . . . 0.0 111.563 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -143.28 -179.05 6.17 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.742 2.017 . . . . 0.0 110.348 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -126.87 152.74 46.64 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.041 -1.037 . . . . 0.0 112.13 170.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -133.44 113.48 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.575 1.95 . . . . 0.0 110.188 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -80.95 100.51 8.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.893 1.677 . . . . 0.0 110.994 169.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tp -128.68 157.37 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.773 2.029 . . . . 0.0 111.668 -173.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.89 123.77 77.57 Favored Pre-proline 0 CA--C 1.556 1.183 0 O-C-N 120.917 -1.114 . . . . 0.0 111.833 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.46 -20.73 26.99 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.909 3.073 . . . . 0.0 114.777 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.32 -19.18 34.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.03 0.932 . . . . 0.0 112.205 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -73.6 170.3 15.48 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.189 0.995 . . . . 0.0 111.411 169.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 55.0 p -86.62 170.92 11.41 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -177.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -59.78 -26.62 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.234 -0.916 . . . . 0.0 111.954 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -61.62 -32.02 72.14 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.439 -1.413 . . . . 0.0 112.685 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.8 67.83 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.166 0.894 . . . . 0.0 112.55 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.5 -52.98 62.71 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.617 -1.302 . . . . 0.0 109.445 169.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.6 -45.89 57.64 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -45.34 89.35 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.581 1.082 . . . . 0.0 112.801 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -67.52 -38.26 83.99 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 123.732 0.813 . . . . 0.0 112.952 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.4 mt -60.59 -48.77 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.138 0.881 . . . . 0.0 110.639 171.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -47.12 82.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.323 1.049 . . . . 0.0 111.574 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.9 t -59.54 -50.28 74.51 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.283 1.433 . . . . 0.0 112.548 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -72.18 -47.92 47.15 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.677 1.191 . . . . 0.0 113.228 -174.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -94.9 -13.66 25.23 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.08 1.352 . . . . 0.0 114.099 -171.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.55 138.29 6.27 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 126.546 2.022 . . . . 0.0 112.711 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -65.52 -19.16 65.81 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -61.61 -39.92 92.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.278 1.031 . . . . 0.0 111.992 171.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.03 -49.12 10.6 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.433 1.093 . . . . 0.0 111.688 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -139.18 80.23 23.95 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.13 1.372 . . . . 0.0 112.341 -170.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.74 141.94 28.09 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.042 2.495 . . . . 0.0 110.451 176.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.66 -43.55 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.573 -1.329 . . . . 0.0 112.806 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.73 61.28 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.6 -25.7 8.51 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 125.282 1.42 . . . . 0.0 114.017 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -59.09 146.32 39.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.85 1.26 . . . . 0.0 112.849 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -129.81 149.44 51.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.574 1.95 . . . . 0.0 108.393 168.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.62 120.07 27.32 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.746 1.618 . . . . 0.0 109.167 -173.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.32 121.9 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.888 1.275 . . . . 0.0 110.55 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -133.08 149.07 52.17 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.661 1.184 . . . . 0.0 111.257 173.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.7 28.3 2.59 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.05 22.16 79.28 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 126.98 2.229 . . . . 0.0 116.132 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -135.2 147.8 49.47 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.39 1.595 . . . . 0.0 112.236 170.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -72.63 123.24 26.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 123.591 0.756 . . . . 0.0 109.679 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -67.31 137.41 56.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.298 1.439 . . . . 0.0 110.784 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -68.46 116.25 8.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 170.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -63.93 -23.87 67.51 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -80.86 -7.81 59.55 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.795 1.238 . . . . 0.0 113.608 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.2 m -98.4 151.38 20.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.474 1.51 . . . . 0.0 111.287 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.44 154.91 36.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -172.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.69 -33.85 76.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.844 0.858 . . . . 0.0 111.926 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -52.52 -38.27 59.31 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.653 1.981 . . . . 0.0 113.596 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.53 -34.21 77.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.278 1.031 . . . . 0.0 112.934 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -97.0 -4.06 40.45 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.186 1.394 . . . . 0.0 112.098 -174.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm 53.05 31.36 11.01 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.272 2.629 . . . . 0.0 113.647 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 mt -60.58 133.68 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 126.258 1.823 . . . . 0.0 110.096 -174.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -101.78 153.44 19.81 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.33 1.052 . . . . 0.0 112.263 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.94 -33.57 65.99 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.859 1.264 . . . . 0.0 113.17 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -77.84 -36.23 50.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.381 1.472 . . . . 0.0 112.013 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -77.0 170.96 15.58 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.785 1.634 . . . . 0.0 111.675 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -120.62 142.46 49.39 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -96.12 163.64 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.774 1.63 . . . . 0.0 110.013 169.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.6 t -112.2 130.46 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.551 -0.718 . . . . 0.0 110.534 172.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.6 p -115.53 137.14 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.663 1.585 . . . . 0.0 110.409 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.82 177.67 7.67 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.492 1.517 . . . . 0.0 111.136 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 125.216 1.406 . . . . 0.0 109.79 174.796 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.39 -36.09 78.63 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.241 -0.912 . . . . 0.0 112.895 175.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.32 -37.45 74.72 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.825 -1.172 . . . . 0.0 112.211 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -60.1 -42.91 95.71 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.163 0.985 . . . . 0.0 111.111 171.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 45.0 mt -57.05 -53.86 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.698 1.199 . . . . 0.0 110.871 170.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.68 77.09 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.722 1.147 . . . . 0.0 113.478 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -60.33 -46.39 90.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.86 1.264 . . . . 0.0 111.661 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.75 83.29 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.473 -0.767 . . . . 0.0 112.967 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 50.1 mtt -55.85 -51.67 66.71 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.697 1.199 . . . . 0.0 111.212 175.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -55.55 -44.18 76.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.125 0.97 . . . . 0.0 113.058 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.7 mtm -62.81 -48.81 77.51 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.726 0.694 . . . . 0.0 111.788 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 177.503 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.609 0.719 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -89.63 78.49 6.98 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 125.367 1.467 . . . . 0.0 111.8 -170.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.25 121.73 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.841 1.656 . . . . 0.0 110.285 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.3 m -79.6 140.71 37.04 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.899 -0.5 . . . . 0.0 109.98 169.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 mt -116.45 153.41 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.836 1.655 . . . . 0.0 111.807 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -134.72 133.49 40.01 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.943 1.697 . . . . 0.0 110.523 169.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 p -91.17 166.28 13.04 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.095 1.358 . . . . 0.0 111.617 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.7 mt -70.94 -14.66 62.45 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.177 -0.952 . . . . 0.0 113.262 172.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -86.67 10.58 15.25 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.009 1.724 . . . . 0.0 112.027 169.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 67.91 16.18 9.6 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.053 2.141 . . . . 0.0 113.953 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -89.39 155.53 19.28 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.417 1.087 . . . . 0.0 110.158 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.1 p -136.27 139.55 42.77 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.638 -0.664 . . . . 0.0 112.721 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -142.66 174.15 10.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.549 1.939 . . . . 0.0 110.74 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -131.45 141.34 49.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.391 1.076 . . . . 0.0 111.896 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mm -132.58 111.8 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.692 1.997 . . . . 0.0 109.454 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -76.21 104.37 6.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.856 0.462 . . . . 0.0 110.626 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.413 HD13 ' H ' ' A' ' 18' ' ' ASP . 5.9 tp -119.29 150.18 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 126.609 1.964 . . . . 0.0 111.023 -178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.413 ' H ' HD13 ' A' ' 17' ' ' ILE . 20.3 m-20 -73.93 114.5 33.33 Favored Pre-proline 0 CA--C 1.55 0.969 0 O-C-N 121.162 -0.961 . . . . 0.0 111.368 174.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.27 -16.7 31.39 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.881 2.387 . . . . 0.0 113.564 -175.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -73.91 -18.55 60.89 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.659 1.583 . . . . 0.0 112.906 170.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -87.02 178.1 7.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.829 1.252 . . . . 0.0 111.985 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 42.5 p -91.21 173.37 7.96 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -173.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.98 -34.02 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.195 0.998 . . . . 0.0 111.459 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.75 -34.19 71.12 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.182 -0.949 . . . . 0.0 112.508 171.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.56 -37.59 74.02 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.077 0.853 . . . . 0.0 112.868 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.19 -53.7 52.7 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.575 -1.328 . . . . 0.0 110.082 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -51.37 -43.07 61.77 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -45.57 92.79 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.565 1.075 . . . . 0.0 112.716 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -68.52 -37.56 80.14 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.488 0.715 . . . . 0.0 112.243 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.4 -51.59 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.369 1.067 . . . . 0.0 110.598 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -46.47 79.79 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.489 1.116 . . . . 0.0 111.602 177.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -59.15 -49.16 78.94 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.955 1.302 . . . . 0.0 112.791 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.88 -58.09 4.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.597 1.159 . . . . 0.0 112.813 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.45 -18.75 54.44 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.955 1.302 . . . . 0.0 113.875 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.66 139.21 6.13 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 126.676 2.084 . . . . 0.0 112.135 -171.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -67.08 -17.16 64.76 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.44 -43.88 97.76 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.6 -0.687 . . . . 0.0 111.353 169.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.99 -46.36 14.09 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.549 1.14 . . . . 0.0 112.09 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -138.06 76.19 39.72 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.491 1.516 . . . . 0.0 111.957 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.45 142.3 44.57 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.622 2.215 . . . . 0.0 110.06 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.3 t -51.92 -46.45 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 121.177 -0.952 . . . . 0.0 112.03 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.47 -17.64 64.76 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.28 -26.16 7.49 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.328 1.442 . . . . 0.0 114.136 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -62.58 141.89 58.26 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.561 1.144 . . . . 0.0 113.262 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -129.94 141.73 50.74 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.743 2.017 . . . . 0.0 107.991 168.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.36 127.37 46.5 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.2 1.8 . . . . 0.0 110.456 -169.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.79 125.86 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.802 1.241 . . . . 0.0 111.212 -169.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -130.95 146.45 52.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.995 1.318 . . . . 0.0 111.89 171.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.23 29.65 3.84 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.783 1.233 . . . . 0.0 114.301 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.51 13.21 83.14 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.998 1.285 . . . . 0.0 115.221 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -125.7 133.77 52.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.79 2.036 . . . . 0.0 111.177 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -69.27 126.48 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 121.687 0.756 . . . . 0.0 111.113 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.8 mt -69.4 120.05 14.61 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.747 2.019 . . . . 0.0 110.726 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -69.44 124.66 24.48 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.989 0.915 . . . . 0.0 111.55 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.61 -50.43 42.83 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.406 1.882 . . . . 0.0 114.511 -172.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.57 -14.74 59.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.096 1.358 . . . . 0.0 113.806 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.0 m -82.53 149.95 27.22 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.91 1.284 . . . . 0.0 110.8 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.97 155.79 32.42 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.98 -31.33 72.18 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.551 -0.718 . . . . 0.0 112.879 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -48.47 -39.81 24.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.676 1.99 . . . . 0.0 113.135 171.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -65.56 -16.41 63.66 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.768 1.627 . . . . 0.0 114.446 -174.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -114.84 -1.27 13.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.567 1.547 . . . . 0.0 112.503 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm 46.65 39.9 7.7 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.753 2.421 . . . . 0.0 113.719 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 53.6 mt -59.66 137.16 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.471 1.508 . . . . 0.0 109.816 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -103.99 162.81 12.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.027 1.331 . . . . 0.0 111.711 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -82.69 -37.32 24.96 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.225 1.01 . . . . 0.0 112.931 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -78.36 -39.06 40.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.582 1.553 . . . . 0.0 111.52 -176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -73.95 166.68 22.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.878 1.271 . . . . 0.0 110.347 171.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -116.11 151.33 35.82 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 122.266 1.031 . . . . 0.0 113.703 -176.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.8 158.37 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 127.641 2.377 . . . . 0.0 107.451 169.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.2 t -105.45 124.41 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 121.276 -0.89 . . . . 0.0 110.211 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -104.77 138.01 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.568 1.547 . . . . 0.0 109.624 171.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -138.05 163.34 31.83 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.807 1.243 . . . . 0.0 111.085 170.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.467 0.412 0 C-N-CA 124.674 1.19 . . . . 0.0 110.08 -179.383 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.7 -32.45 73.95 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.286 -0.884 . . . . 0.0 113.03 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.0 -39.74 49.29 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.477 1.111 . . . . 0.0 111.588 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -59.37 -44.85 92.66 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.402 1.081 . . . . 0.0 111.163 169.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 41.1 mt -56.96 -53.45 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.854 1.261 . . . . 0.0 110.911 170.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.03 -33.54 73.45 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.037 1.289 . . . . 0.0 113.434 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -63.68 -45.63 89.21 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.249 1.019 . . . . 0.0 111.684 169.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.76 79.16 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.208 1.003 . . . . 0.0 112.713 171.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 43.4 mtt -54.13 -57.81 9.71 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 125.731 1.613 . . . . 0.0 110.801 173.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.76 -41.88 67.64 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.879 1.271 . . . . 0.0 113.577 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.99 -53.34 47.71 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.078 0.853 . . . . 0.0 111.596 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 CA--C 1.538 0.486 0 C-N-CA 125.613 1.565 . . . . 0.0 113.5 176.509 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.81 83.12 7.25 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.979 0.912 . . . . 0.0 111.525 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.06 115.53 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.548 1.139 . . . . 0.0 108.902 169.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -79.29 140.31 37.61 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.968 0.413 . . . . 0.0 109.931 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.1 mt -118.06 153.07 34.34 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.78 1.632 . . . . 0.0 111.956 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -133.28 130.18 38.61 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 126.236 1.814 . . . . 0.0 109.576 168.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.8 p -82.0 169.34 16.86 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.103 1.361 . . . . 0.0 111.726 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -64.55 -19.38 65.6 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -96.39 16.18 19.25 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.031 1.332 . . . . 0.0 111.875 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 61.37 27.37 17.0 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.672 2.389 . . . . 0.0 114.849 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -89.11 154.27 20.3 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.878 0.871 . . . . 0.0 109.464 171.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 63.3 p -135.63 145.86 47.27 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -171.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -147.75 171.52 15.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.951 2.101 . . . . 0.0 110.81 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -122.48 142.76 50.23 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.744 1.218 . . . . 0.0 111.58 169.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.7 mm -126.84 108.26 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 126.925 2.09 . . . . 0.0 108.691 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.7 102.62 2.84 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.895 0.478 . . . . 0.0 110.754 172.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 tp -121.57 150.78 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 126.468 1.907 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.65 119.13 72.29 Favored Pre-proline 0 CA--C 1.552 1.046 0 O-C-N 120.829 -1.17 . . . . 0.0 110.825 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.24 -12.86 28.04 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.033 2.489 . . . . 0.0 114.355 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -87.84 -13.75 41.31 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.035 -1.041 . . . . 0.0 112.583 171.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -80.89 179.63 7.75 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.234 1.014 . . . . 0.0 110.925 169.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 29.9 p -94.69 173.99 7.33 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -169.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.59 -36.48 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.345 1.058 . . . . 0.0 111.023 170.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.21 -37.01 81.47 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.057 -1.027 . . . . 0.0 112.103 170.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.74 93.94 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 118.942 0.792 . . . . 0.0 112.931 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.37 -54.61 41.5 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.843 -1.161 . . . . 0.0 110.983 169.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -51.45 -41.26 60.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.457 1.103 . . . . 0.0 113.206 171.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -51.28 63.52 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.171 1.388 . . . . 0.0 111.889 172.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -70.19 -35.78 74.17 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.472 0.709 . . . . 0.0 112.597 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.52 -53.81 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.544 1.138 . . . . 0.0 110.078 169.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.3 -46.62 85.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.724 0.81 . . . . 0.0 112.144 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -59.15 -48.55 81.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.482 1.113 . . . . 0.0 112.66 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.92 -53.79 10.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.655 1.182 . . . . 0.0 112.706 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -86.82 -11.93 49.45 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.911 1.284 . . . . 0.0 114.103 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.73 143.92 15.25 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 127.282 2.373 . . . . 0.0 113.965 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -63.71 -28.95 70.24 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.901 1.28 . . . . 0.0 113.962 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.07 -58.05 8.59 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 122.361 1.076 . . . . 0.0 111.505 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.21 -40.4 59.25 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.79 1.636 . . . . 0.0 113.522 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.02 68.34 56.82 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.143 0.977 . . . . 0.0 113.573 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.35 144.47 45.86 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.132 2.555 . . . . 0.0 110.983 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.42 -53.48 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 125.545 1.538 . . . . 0.0 111.91 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.2 -15.68 36.77 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.056 1.343 . . . . 0.0 114.618 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.68 -16.34 42.76 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.957 1.265 . . . . 0.0 114.627 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -81.78 144.41 31.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.234 1.517 . . . . 0.0 112.944 -174.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -128.95 134.46 48.21 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.645 1.978 . . . . 0.0 107.517 168.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.04 125.47 48.41 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.629 1.971 . . . . 0.0 109.888 -169.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.23 127.2 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.577 1.151 . . . . 0.0 111.208 -170.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -132.11 144.08 50.46 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.987 1.315 . . . . 0.0 110.924 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.85 30.07 4.86 Favored 'General case' 0 CA--C 1.556 1.191 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.67 18.34 79.46 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 126.59 2.043 . . . . 0.0 115.409 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -128.15 127.16 42.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.938 2.095 . . . . 0.0 110.738 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -68.12 124.65 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.734 -0.603 . . . . 0.0 110.344 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.2 mt -68.11 129.06 38.77 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.211 1.804 . . . . 0.0 111.021 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -74.04 123.15 23.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.976 0.911 . . . . 0.0 111.75 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.55 -47.48 19.64 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.868 1.667 . . . . 0.0 114.33 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -81.37 -15.75 54.33 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.4 m -80.22 143.77 33.48 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.089 -1.007 . . . . 0.0 110.766 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.92 152.25 35.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.46 -33.9 76.58 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.412 -0.805 . . . . 0.0 113.094 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -54.5 -27.52 38.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.071 1.348 . . . . 0.0 114.467 173.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -72.39 -17.36 61.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.935 1.294 . . . . 0.0 113.235 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -108.32 -3.73 18.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.032 1.733 . . . . 0.0 112.707 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt 50.64 32.07 6.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.922 2.489 . . . . 0.0 114.348 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.1 mt -58.13 143.44 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.809 1.644 . . . . 0.0 109.559 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -122.85 158.83 29.44 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.061 1.344 . . . . 0.0 111.458 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -71.96 -28.34 63.38 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.174 0.99 . . . . 0.0 113.563 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -81.38 -36.27 29.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.248 1.419 . . . . 0.0 112.638 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -68.64 173.09 5.43 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.417 1.487 . . . . 0.0 111.358 170.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -130.41 149.92 51.87 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.035 0.922 . . . . 0.0 113.284 171.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.21 163.57 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 127.608 2.363 . . . . 0.0 109.059 170.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.3 t -108.35 133.06 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.538 -0.726 . . . . 0.0 110.666 172.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.68 140.04 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.676 1.591 . . . . 0.0 109.978 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.2 ptm -138.55 156.81 47.16 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.436 1.094 . . . . 0.0 111.574 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.467 0.385 0 C-N-CA 124.727 1.211 . . . . 0.0 109.9 179.106 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.72 -37.26 83.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.089 0.956 . . . . 0.0 112.507 175.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -72.42 -37.71 68.55 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.676 0.79 . . . . 0.0 112.154 173.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -60.12 -45.33 93.35 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.97 0.804 . . . . 0.0 110.392 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.36 -52.48 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.551 1.54 . . . . 0.0 111.201 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.74 -33.85 73.55 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.682 1.128 . . . . 0.0 113.454 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -60.87 -48.33 82.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.959 0.904 . . . . 0.0 111.529 170.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.85 83.89 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.9 mtt -55.62 -52.31 64.24 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.334 1.054 . . . . 0.0 111.769 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.38 -43.58 88.52 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 62.4 mtm -63.61 -44.55 93.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.169 0.895 . . . . 0.0 111.952 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -179.155 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 ttp . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.75 79.24 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.881 0.872 . . . . 0.0 111.329 -171.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.16 133.57 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.304 1.442 . . . . 0.0 109.7 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.3 m -80.02 135.77 36.44 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.787 -0.57 . . . . 0.0 109.818 169.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.86 149.59 30.38 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.101 1.76 . . . . 0.0 110.612 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -138.99 139.41 37.89 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.388 1.875 . . . . 0.0 111.314 173.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -102.51 166.53 10.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.334 1.453 . . . . 0.0 112.348 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 mt -72.07 -13.43 61.59 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 172.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -85.2 6.53 25.5 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.245 1.418 . . . . 0.0 111.09 169.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 61.64 27.14 16.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.004 2.522 . . . . 0.0 113.753 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.33 154.93 19.7 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.582 1.153 . . . . 0.0 110.043 171.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.5 p -136.42 146.08 46.01 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.911 0.884 . . . . 0.0 112.658 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -150.67 -169.26 3.34 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.917 2.087 . . . . 0.0 110.209 176.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.12 149.96 51.11 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.812 -1.18 . . . . 0.0 112.033 170.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mm -126.84 115.72 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.753 2.021 . . . . 0.0 109.029 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -74.52 102.0 4.36 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.95 0.5 . . . . 0.0 110.137 169.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.417 HD12 ' H ' ' A' ' 18' ' ' ASP . 6.0 tp -118.44 148.05 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.782 1.633 . . . . 0.0 111.116 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.417 ' H ' HD12 ' A' ' 17' ' ' ILE . 19.2 m-20 -75.0 114.54 35.91 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.103 0.961 . . . . 0.0 111.385 174.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.45 -20.61 31.37 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.967 2.444 . . . . 0.0 113.914 -174.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.92 -20.37 61.08 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.739 1.215 . . . . 0.0 112.999 172.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -82.19 178.52 8.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.578 1.151 . . . . 0.0 111.644 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 47.1 p -94.49 173.43 7.62 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -173.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.85 -32.21 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.349 1.06 . . . . 0.0 111.641 172.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -59.97 -38.85 83.71 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.759 -1.213 . . . . 0.0 112.054 170.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.83 -35.76 81.59 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 174.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.61 -55.1 39.24 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.098 -1.001 . . . . 0.0 110.791 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -49.93 -44.38 50.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.07 0.948 . . . . 0.0 113.169 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.4 -53.83 32.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.255 1.822 . . . . 0.0 112.082 171.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -69.02 -34.54 75.4 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.499 -0.751 . . . . 0.0 112.897 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.03 -49.16 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 123.852 0.861 . . . . 0.0 110.757 170.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.73 -42.41 88.66 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.072 0.851 . . . . 0.0 111.227 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 t -58.73 -51.34 70.39 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.041 1.336 . . . . 0.0 112.253 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -70.13 -56.19 7.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.748 0.819 . . . . 0.0 113.13 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -84.32 -18.19 37.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.048 1.339 . . . . 0.0 113.66 -171.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.5 136.76 6.15 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.577 2.036 . . . . 0.0 113.079 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -58.46 -21.26 50.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.818 2.447 . . . . 0.0 114.604 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -63.26 -29.25 70.62 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.176 0.99 . . . . 0.0 112.928 170.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.46 -41.14 3.93 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.669 1.587 . . . . 0.0 112.749 -173.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -136.91 70.65 57.29 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 126.063 1.745 . . . . 0.0 111.676 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.72 144.49 49.07 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.728 2.285 . . . . 0.0 110.786 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.83 -45.67 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 125.017 1.327 . . . . 0.0 111.99 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.21 -23.54 67.11 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.66 -25.91 8.36 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.171 1.367 . . . . 0.0 114.18 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -66.02 135.81 55.18 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.415 1.086 . . . . 0.0 113.34 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -119.89 138.24 53.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.882 2.073 . . . . 0.0 106.953 168.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.15 121.83 39.66 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.195 1.798 . . . . 0.0 109.542 -171.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -129.66 128.71 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.922 1.289 . . . . 0.0 111.001 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -134.93 144.53 47.51 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.34 1.456 . . . . 0.0 110.841 173.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.49 33.11 3.75 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.96 10.58 86.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 127.119 2.295 . . . . 0.0 115.987 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -128.61 137.29 51.61 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.064 1.746 . . . . 0.0 112.165 -175.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -75.41 127.03 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.717 0.807 . . . . 0.0 110.642 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.5 131.51 44.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.833 2.053 . . . . 0.0 111.77 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -72.43 119.45 16.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.41 1.084 . . . . 0.0 111.419 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -53.39 -37.68 62.68 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -174.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.03 -15.77 52.5 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.2 m -83.98 148.45 26.88 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.442 1.097 . . . . 0.0 111.081 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -78.19 156.05 30.03 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.04 -32.97 74.75 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.883 0.873 . . . . 0.0 113.315 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.96 -28.04 68.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.716 1.207 . . . . 0.0 113.779 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -67.77 -16.09 63.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.585 1.154 . . . . 0.0 113.172 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -109.31 -0.41 19.12 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.493 1.917 . . . . 0.0 112.526 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 49.52 33.4 5.69 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.824 2.449 . . . . 0.0 114.376 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.6 140.19 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.871 1.269 . . . . 0.0 109.733 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.73 159.03 23.67 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.93 1.292 . . . . 0.0 111.266 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.44 -34.24 76.81 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.123 0.969 . . . . 0.0 112.881 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -76.67 -33.63 58.26 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.985 1.314 . . . . 0.0 112.862 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -72.7 165.38 24.9 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.856 0.862 . . . . 0.0 110.747 171.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -114.64 149.25 36.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.723 0.809 . . . . 0.0 112.359 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.22 155.89 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 126.407 1.883 . . . . 0.0 108.3 169.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.6 t -107.76 121.59 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.353 0.597 . . . . 0.0 109.701 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.83 133.99 47.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 125.037 1.335 . . . . 0.0 109.641 172.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -133.92 163.86 28.58 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.689 1.196 . . . . 0.0 110.446 169.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.465 0.295 0 C-N-CA 124.176 0.99 . . . . 0.0 109.378 179.211 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.16 -34.76 78.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.44 -0.788 . . . . 0.0 112.673 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -70.84 -37.12 73.14 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.104 -0.997 . . . . 0.0 112.5 173.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -59.46 -46.2 89.46 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.478 1.036 . . . . 0.0 110.916 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.91 -55.36 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.993 1.317 . . . . 0.0 111.071 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.63 76.18 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.256 -0.902 . . . . 0.0 113.091 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -61.25 -45.74 93.28 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.464 -0.773 . . . . 0.0 111.631 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.02 90.09 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.082 0.953 . . . . 0.0 113.533 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.9 mtt -57.18 -60.58 3.4 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.931 1.292 . . . . 0.0 110.29 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -50.43 -43.52 54.95 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.261 1.024 . . . . 0.0 112.391 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 39.4 ttm -56.55 -57.24 13.21 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.375 1.07 . . . . 0.0 112.662 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.887 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptm . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -98.24 86.89 3.76 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.035 0.934 . . . . 0.0 110.138 173.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.01 149.12 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.812 -0.555 . . . . 0.0 111.268 173.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.1 m -86.66 134.99 33.57 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 168.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.51 154.94 22.98 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.986 1.714 . . . . 0.0 110.502 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -138.08 125.41 21.79 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.152 1.781 . . . . 0.0 110.946 170.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p -82.63 162.93 21.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.898 0.879 . . . . 0.0 111.893 171.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.8 mt -65.8 -28.11 68.77 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.208 -0.933 . . . . 0.0 112.745 171.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -72.58 8.28 1.5 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.983 1.713 . . . . 0.0 113.448 169.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 71.22 22.53 4.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.875 2.47 . . . . 0.0 114.161 174.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -89.06 119.39 29.53 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.705 0.802 . . . . 0.0 109.833 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 p -109.21 120.56 42.9 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.368 1.067 . . . . 0.0 111.479 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -139.26 -173.29 3.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.308 2.243 . . . . 0.0 110.139 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -123.48 156.94 34.62 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.137 -0.977 . . . . 0.0 112.597 173.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -133.93 113.72 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.516 1.927 . . . . 0.0 109.821 175.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -81.18 102.87 10.59 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.743 1.217 . . . . 0.0 109.445 169.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.427 HD13 ' H ' ' A' ' 18' ' ' ASP . 6.8 tp -127.0 154.03 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.576 1.95 . . . . 0.0 111.586 -174.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.427 ' H ' HD13 ' A' ' 17' ' ' ILE . 25.3 m-20 -79.43 118.57 73.17 Favored Pre-proline 0 CA--C 1.551 1.006 0 O-C-N 121.356 -0.84 . . . . 0.0 111.735 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -67.94 -26.65 37.53 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.214 2.609 . . . . 0.0 113.229 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.09 -19.32 60.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.477 1.511 . . . . 0.0 113.093 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -78.32 171.74 14.62 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.265 1.031 . . . . 0.0 111.556 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 62.5 p -93.75 169.21 10.48 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.39 -0.819 . . . . 0.0 112.989 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.49 -29.91 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.675 1.19 . . . . 0.0 112.784 -175.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -62.6 -23.63 67.15 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.728 -1.233 . . . . 0.0 113.705 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.2 -35.39 59.09 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.168 0.895 . . . . 0.0 112.804 169.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -56.2 -52.6 63.81 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.488 -1.383 . . . . 0.0 109.287 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -50.98 -46.18 61.26 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.196 0.998 . . . . 0.0 113.551 169.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.94 -44.27 91.35 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.802 1.183 . . . . 0.0 112.813 178.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -69.27 -35.75 76.39 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.641 -0.662 . . . . 0.0 112.521 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.07 -46.34 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.898 0.879 . . . . 0.0 111.106 170.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.97 -42.73 85.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.758 0.823 . . . . 0.0 111.224 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 t -63.05 -47.59 82.31 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.475 1.11 . . . . 0.0 112.758 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -64.94 -58.95 4.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.541 1.537 . . . . 0.0 112.854 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -84.77 -15.47 44.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.358 1.463 . . . . 0.0 113.981 -172.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.37 143.04 5.72 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 126.844 2.164 . . . . 0.0 112.314 -171.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -69.5 -14.65 62.98 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -62.31 -41.77 98.81 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.351 0.66 . . . . 0.0 111.045 169.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.24 -48.08 10.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.493 1.117 . . . . 0.0 111.753 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -138.58 75.89 37.09 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.137 1.375 . . . . 0.0 112.349 -173.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.1 141.59 40.17 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.905 2.403 . . . . 0.0 110.086 174.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.7 t -51.43 -46.8 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.717 -1.24 . . . . 0.0 112.1 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -20.56 66.54 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.49 -20.95 10.27 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.431 1.491 . . . . 0.0 114.334 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -66.73 149.87 49.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.667 1.187 . . . . 0.0 113.547 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -136.95 146.12 45.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.047 2.139 . . . . 0.0 108.234 168.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.5 127.12 41.83 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.352 1.861 . . . . 0.0 109.505 -170.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.85 122.42 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.83 1.252 . . . . 0.0 110.58 -169.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -128.71 134.86 48.6 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.991 1.316 . . . . 0.0 111.808 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.91 27.16 4.1 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.589 1.155 . . . . 0.0 113.516 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.04 -9.53 24.88 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.869 2.176 . . . . 0.0 115.205 -172.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -83.23 118.63 23.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.733 1.613 . . . . 0.0 110.095 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mt -64.52 119.47 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 121.346 0.593 . . . . 0.0 110.236 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.93 119.18 10.86 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.433 1.893 . . . . 0.0 110.667 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.2 126.3 29.26 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.348 0.659 . . . . 0.0 111.586 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.04 -47.36 22.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.024 1.73 . . . . 0.0 114.475 -175.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -87.99 -1.53 58.05 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.864 1.666 . . . . 0.0 114.258 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -92.41 148.44 22.11 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.836 1.254 . . . . 0.0 110.024 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -79.71 157.17 27.24 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -175.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.54 -29.15 69.16 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.16 -0.962 . . . . 0.0 113.206 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -59.77 -29.65 68.33 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.25 1.42 . . . . 0.0 113.701 173.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -66.86 -16.38 64.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.895 1.278 . . . . 0.0 113.979 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -115.43 1.46 13.68 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.83 1.652 . . . . 0.0 112.456 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 46.02 37.55 3.87 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.132 2.573 . . . . 0.0 114.365 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.8 mt -61.58 142.79 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 125.86 1.664 . . . . 0.0 110.072 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -125.2 155.97 39.19 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.068 1.347 . . . . 0.0 113.001 -173.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -74.64 -29.98 61.46 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.505 1.522 . . . . 0.0 113.974 -176.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.71 -32.66 62.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.24 1.016 . . . . 0.0 112.304 177.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -82.08 177.04 9.04 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.774 1.63 . . . . 0.0 111.35 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -119.66 162.6 18.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.103 1.361 . . . . 0.0 112.501 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.07 157.94 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.869 2.067 . . . . 0.0 109.35 171.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.1 t -107.48 127.51 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.741 -0.599 . . . . 0.0 110.232 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.7 p -112.69 141.4 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.328 1.451 . . . . 0.0 110.275 172.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.4 ptm -138.45 169.14 18.31 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.175 1.39 . . . . 0.0 111.509 173.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.534 0.343 0 C-N-CA 125.51 1.524 . . . . 0.0 108.627 173.615 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -62.28 -42.44 99.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.606 1.162 . . . . 0.0 112.761 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.22 -34.82 71.17 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.366 -0.833 . . . . 0.0 112.101 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -60.91 -46.72 89.53 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.793 1.237 . . . . 0.0 111.269 172.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.37 -51.8 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.835 1.654 . . . . 0.0 111.238 170.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.53 -34.36 75.41 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.98 -1.075 . . . . 0.0 113.333 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -61.02 -43.38 98.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.227 1.011 . . . . 0.0 111.841 170.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -59.73 -48.16 82.8 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.993 0.917 . . . . 0.0 112.61 171.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 50.6 mtt -53.59 -51.37 63.24 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.015 1.326 . . . . 0.0 112.112 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -55.32 -43.25 74.75 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.732 1.151 . . . . 0.0 113.404 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 75.3 mtm -66.23 -44.29 84.19 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.881 -0.512 . . . . 0.0 111.935 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 125.025 1.33 . . . . 0.0 113.383 174.117 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 ttp . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 121.507 0.67 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -86.62 82.55 7.86 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.711 1.204 . . . . 0.0 111.611 -173.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -67.61 134.96 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.827 1.251 . . . . 0.0 109.759 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 m -80.04 132.43 35.99 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.457 -0.777 . . . . 0.0 109.846 169.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.18 148.29 28.06 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.164 1.385 . . . . 0.0 110.841 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -136.44 127.5 27.84 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.95 1.7 . . . . 0.0 111.385 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -87.53 164.38 16.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.298 1.439 . . . . 0.0 111.643 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.66 -19.38 63.61 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.921 -1.112 . . . . 0.0 113.518 171.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -76.0 5.45 6.58 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.815 1.246 . . . . 0.0 111.858 169.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 64.11 24.59 13.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.327 2.651 . . . . 0.0 113.692 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -88.93 151.69 22.17 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.123 0.969 . . . . 0.0 109.726 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.1 p -131.89 141.43 49.37 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.042 0.925 . . . . 0.0 112.832 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -146.69 -173.11 4.13 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.724 2.41 . . . . 0.0 109.626 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -134.27 157.98 44.92 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.872 -1.142 . . . . 0.0 111.578 169.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -135.07 115.46 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.592 1.957 . . . . 0.0 108.899 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -79.51 97.84 6.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.064 0.546 . . . . 0.0 110.355 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.529 HD13 ' H ' ' A' ' 18' ' ' ASP . 4.2 tp -113.59 148.32 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.669 1.988 . . . . 0.0 111.526 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.529 ' H ' HD13 ' A' ' 17' ' ' ILE . 15.6 t0 -77.97 116.34 57.78 Favored Pre-proline 0 CA--C 1.555 1.168 0 O-C-N 121.148 -0.97 . . . . 0.0 111.515 173.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.78 -13.74 24.34 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.745 2.963 . . . . 0.0 114.991 -175.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -84.44 -17.0 40.63 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.655 1.116 . . . . 0.0 112.54 174.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -74.47 168.31 19.99 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.092 0.949 . . . . 0.0 111.474 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.3 p -81.21 171.03 15.37 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.295 -0.878 . . . . 0.0 113.114 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.93 -28.66 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.565 1.146 . . . . 0.0 112.062 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -46.95 -47.93 21.62 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.341 0.973 . . . . 0.0 110.948 169.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.31 -34.65 77.81 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 tp -56.53 -55.7 30.56 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.517 -1.364 . . . . 0.0 109.775 169.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -56.0 -40.8 73.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.208 1.403 . . . . 0.0 114.091 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.8 -40.56 92.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.431 1.093 . . . . 0.0 112.551 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -38.8 86.74 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.272 0.629 . . . . 0.0 112.094 174.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.26 -48.95 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.756 0.822 . . . . 0.0 110.991 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.15 -43.04 82.13 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.472 0.709 . . . . 0.0 111.202 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.2 m -63.3 -46.96 84.31 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.814 1.245 . . . . 0.0 112.944 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -68.88 -57.81 5.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.018 1.327 . . . . 0.0 112.245 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -81.49 -16.88 50.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.714 1.206 . . . . 0.0 113.777 -172.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.7 143.38 7.64 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.66 2.076 . . . . 0.0 112.073 -171.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -68.52 -14.14 62.8 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.39 -42.03 98.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.498 -0.751 . . . . 0.0 111.092 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.06 -51.29 8.16 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.794 1.238 . . . . 0.0 112.091 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -138.26 70.3 47.54 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 125.113 1.365 . . . . 0.0 112.467 -171.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -67.74 138.01 43.75 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.174 2.583 . . . . 0.0 109.138 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -48.07 -44.99 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 CA-C-N 121.051 1.75 . . . . 0.0 113.465 -172.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.62 79.38 Favored 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.13 -35.89 47.69 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.915 1.245 . . . . 0.0 113.553 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -58.76 139.06 56.76 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.357 2.263 . . . . 0.0 110.993 172.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -130.24 154.53 47.49 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.593 1.557 . . . . 0.0 110.322 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.29 123.54 28.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.804 2.041 . . . . 0.0 110.736 -169.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.85 124.87 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.191 1.397 . . . . 0.0 110.408 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -132.47 141.92 49.01 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.309 1.444 . . . . 0.0 111.91 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.45 25.26 1.29 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.36 1.464 . . . . 0.0 114.21 -173.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.45 13.86 82.78 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 126.117 1.818 . . . . 0.0 116.024 -174.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -122.17 141.76 51.11 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.193 1.497 . . . . 0.0 111.705 174.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.28 124.18 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 123.76 0.824 . . . . 0.0 110.583 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.4 119.07 12.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.648 1.579 . . . . 0.0 110.745 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -68.3 120.49 14.51 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.936 0.895 . . . . 0.0 110.689 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.28 -29.18 57.63 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -175.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -88.13 -18.61 28.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.741 1.216 . . . . 0.0 113.478 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.9 m -81.71 153.83 26.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.188 1.395 . . . . 0.0 110.92 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -81.0 156.46 25.9 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.879 -1.138 . . . . 0.0 113.871 -177.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.93 -34.9 79.51 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.767 0.827 . . . . 0.0 112.452 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -52.03 -33.63 39.49 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.642 1.977 . . . . 0.0 113.802 173.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.64 -18.29 64.91 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.993 1.317 . . . . 0.0 114.088 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.93 -3.12 14.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.241 1.416 . . . . 0.0 112.385 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 51.19 33.01 8.74 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.613 2.365 . . . . 0.0 114.355 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.8 mt -58.45 144.28 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.535 1.534 . . . . 0.0 109.065 172.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -133.49 159.74 39.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.112 1.365 . . . . 0.0 111.238 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.19 -32.09 72.69 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.684 0.793 . . . . 0.0 113.004 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -70.33 -17.18 63.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.627 1.571 . . . . 0.0 113.953 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -103.96 165.82 10.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.12 1.368 . . . . 0.0 111.554 -175.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -108.4 159.75 16.42 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.22 1.008 . . . . 0.0 112.153 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.79 157.25 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 127.07 2.148 . . . . 0.0 108.701 170.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -108.68 129.81 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 122.845 0.458 . . . . 0.0 110.142 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -118.72 140.22 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.444 1.497 . . . . 0.0 110.905 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 ptm -141.81 171.67 13.75 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.751 1.62 . . . . 0.0 111.646 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 124.727 1.211 . . . . 0.0 110.254 173.637 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.97 -41.39 82.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.503 1.121 . . . . 0.0 112.669 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -64.44 -42.47 95.96 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.385 -0.822 . . . . 0.0 112.074 174.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -60.98 -44.97 96.59 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.852 0.861 . . . . 0.0 112.11 172.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.01 -51.56 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.818 0.847 . . . . 0.0 111.139 170.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.13 74.52 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.983 -1.073 . . . . 0.0 113.492 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -62.92 -43.69 98.1 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.202 -0.936 . . . . 0.0 111.83 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.54 85.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.613 0.765 . . . . 0.0 112.232 172.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.3 mtt -56.86 -49.44 75.48 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.826 1.25 . . . . 0.0 111.857 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -58.41 -43.26 88.55 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.85 0.75 . . . . 0.0 112.665 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 54.8 mtm -63.53 -48.55 77.06 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.98 0.809 . . . . 0.0 111.63 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 125.813 1.645 . . . . 0.0 114.19 174.872 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 ttp . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.34 78.41 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.635 1.174 . . . . 0.0 110.935 -171.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.3 134.4 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.9 1.28 . . . . 0.0 109.928 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.2 m -81.28 133.04 35.37 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.75 150.66 27.28 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.687 1.595 . . . . 0.0 110.513 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -138.78 139.73 38.36 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.726 1.611 . . . . 0.0 111.555 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 p -103.61 164.42 11.68 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.306 1.442 . . . . 0.0 112.221 -176.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.84 -18.87 63.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 172.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -81.87 9.39 8.21 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.967 1.707 . . . . 0.0 112.677 169.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 65.49 22.39 11.84 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.296 2.238 . . . . 0.0 114.247 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -89.13 150.66 22.61 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.665 0.786 . . . . 0.0 109.668 174.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.7 p -132.85 138.06 46.92 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.804 0.842 . . . . 0.0 111.61 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -142.63 -175.86 4.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.814 2.046 . . . . 0.0 110.165 -173.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 151.22 52.08 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.199 -0.938 . . . . 0.0 111.777 169.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 mm -133.78 108.88 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 126.853 2.061 . . . . 0.0 108.996 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -77.93 95.86 4.88 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.968 0.507 . . . . 0.0 110.097 170.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -114.08 148.11 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.688 1.995 . . . . 0.0 110.723 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.91 120.72 82.91 Favored Pre-proline 0 CA--C 1.555 1.152 0 O-C-N 120.985 -1.072 . . . . 0.0 111.004 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.8 -14.33 17.41 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.264 2.643 . . . . 0.0 114.876 -172.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.07 -22.39 49.13 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.38 0.991 . . . . 0.0 111.25 169.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.2 179.12 3.49 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.017 1.727 . . . . 0.0 112.741 169.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 43.7 p -101.65 174.53 5.92 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -169.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.02 -33.69 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.794 0.838 . . . . 0.0 111.2 172.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.45 -39.86 89.05 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.999 -1.063 . . . . 0.0 111.483 169.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.83 90.28 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 172.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.5 -55.47 28.78 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.652 -1.28 . . . . 0.0 110.78 169.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -50.82 -42.25 58.22 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.889 0.876 . . . . 0.0 113.345 170.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -49.84 75.53 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.44 1.096 . . . . 0.0 112.409 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -65.14 -37.57 87.85 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.7 0.8 . . . . 0.0 112.573 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.94 -49.38 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.33 0.968 . . . . 0.0 110.741 171.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.24 -43.97 92.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.808 0.843 . . . . 0.0 111.817 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -60.52 -52.99 62.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.564 1.546 . . . . 0.0 112.379 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -75.1 -49.87 18.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.938 1.295 . . . . 0.0 113.081 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -87.3 -17.45 32.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.713 1.205 . . . . 0.0 113.672 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.08 131.71 5.9 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.427 1.965 . . . . 0.0 113.316 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -56.94 -21.35 29.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.975 2.51 . . . . 0.0 114.523 173.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.29 -32.0 69.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.285 1.434 . . . . 0.0 112.846 169.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.02 -36.49 4.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.436 1.495 . . . . 0.0 113.019 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -136.5 71.32 59.38 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.614 1.566 . . . . 0.0 112.074 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.35 143.88 44.48 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.538 2.159 . . . . 0.0 110.535 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -51.08 -45.96 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 124.756 1.222 . . . . 0.0 111.993 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.6 -21.09 66.13 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.48 -24.93 9.04 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.981 1.277 . . . . 0.0 113.849 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -67.7 149.26 50.22 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.737 1.215 . . . . 0.0 113.557 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -136.25 144.93 45.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.448 2.299 . . . . 0.0 108.388 168.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.1 125.32 42.36 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.446 1.498 . . . . 0.0 110.428 -169.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mp -132.06 120.36 43.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.152 1.381 . . . . 0.0 110.216 -169.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -127.65 148.9 50.39 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.538 1.135 . . . . 0.0 111.328 170.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.69 31.36 2.99 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.848 1.259 . . . . 0.0 113.501 -174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.43 16.93 74.01 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.123 1.82 . . . . 0.0 116.244 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -128.28 143.29 51.01 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.584 1.692 . . . . 0.0 112.364 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -71.97 127.24 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 124.171 0.988 . . . . 0.0 110.444 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -76.54 137.51 39.63 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.534 1.533 . . . . 0.0 111.755 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -73.54 120.54 19.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.362 1.065 . . . . 0.0 110.808 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -53.63 -38.42 64.04 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -80.17 -20.31 45.11 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.6 m -77.71 142.59 38.67 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.196 -0.94 . . . . 0.0 110.885 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -74.67 154.65 38.38 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 -177.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.54 -31.36 72.03 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.314 -0.866 . . . . 0.0 113.289 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -47.94 -40.94 23.56 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.194 1.797 . . . . 0.0 112.858 170.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.42 -19.52 65.82 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.615 1.566 . . . . 0.0 113.775 -174.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -107.73 -3.02 19.53 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.057 1.743 . . . . 0.0 112.958 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt 44.63 38.32 2.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.336 2.655 . . . . 0.0 115.401 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 54.7 mt -57.32 138.68 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.62 1.568 . . . . 0.0 109.74 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -106.83 157.0 18.08 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.581 1.152 . . . . 0.0 111.288 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -73.17 -33.41 65.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.721 0.808 . . . . 0.0 112.744 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.71 -34.82 34.24 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.823 1.649 . . . . 0.0 112.513 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -68.23 162.95 23.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.649 0.78 . . . . 0.0 109.877 169.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -117.18 140.91 48.94 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.646 0.736 . . . . 0.0 112.649 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.5 160.38 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.657 1.583 . . . . 0.0 109.039 170.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -110.46 122.27 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.394 0.616 . . . . 0.0 110.091 172.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -105.81 138.15 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 125.117 1.367 . . . . 0.0 109.573 170.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.6 ptm -132.49 159.89 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.529 1.132 . . . . 0.0 110.581 169.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 124.841 1.257 . . . . 0.0 109.065 176.267 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -68.32 -38.15 81.29 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.791 0.836 . . . . 0.0 112.982 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -67.66 -40.62 84.49 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.946 -1.096 . . . . 0.0 112.248 173.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.24 -43.54 95.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.4 1.08 . . . . 0.0 111.888 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 40.3 mt -55.93 -53.4 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.172 0.989 . . . . 0.0 110.72 169.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.79 -35.03 75.44 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.648 1.113 . . . . 0.0 113.236 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -59.68 -47.6 85.0 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.366 1.067 . . . . 0.0 111.283 170.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.71 93.33 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.235 1.014 . . . . 0.0 113.242 172.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.5 mtt -60.1 -52.84 63.64 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.142 1.377 . . . . 0.0 111.954 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -54.6 -48.37 72.27 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.748 0.819 . . . . 0.0 111.859 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 27.8 ttm -56.82 -49.23 76.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.206 1.002 . . . . 0.0 111.638 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 CA--C 1.535 0.398 0 C-N-CA 126.994 2.118 . . . . 0.0 114.985 177.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 ttp . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -92.29 78.66 5.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 124.439 1.095 . . . . 0.0 111.264 -170.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.54 131.31 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.006 1.322 . . . . 0.0 109.489 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.7 m -79.9 133.71 36.25 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 169.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.1 148.54 27.69 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.986 1.314 . . . . 0.0 110.604 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -137.65 140.18 40.71 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.1 1.76 . . . . 0.0 111.148 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 p -103.55 167.91 9.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.775 1.23 . . . . 0.0 112.29 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.7 mt -66.39 -26.82 67.43 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 172.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -75.66 3.56 9.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.118 1.367 . . . . 0.0 112.65 169.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 59.55 33.12 22.03 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.607 2.363 . . . . 0.0 114.085 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -89.05 153.31 21.1 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.633 0.773 . . . . 0.0 109.115 169.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 p -136.06 139.97 43.45 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.353 0.661 . . . . 0.0 112.777 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -143.61 -175.46 4.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.35 2.26 . . . . 0.0 109.916 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -131.71 153.91 49.55 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.999 -1.063 . . . . 0.0 111.83 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.5 mm -133.81 109.36 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 126.771 2.028 . . . . 0.0 108.899 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -78.64 95.21 5.2 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.795 169.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -114.16 148.98 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.599 1.96 . . . . 0.0 111.228 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -75.26 114.22 33.3 Favored Pre-proline 0 CA--C 1.55 0.973 0 O-C-N 121.243 -0.911 . . . . 0.0 111.808 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -69.44 -13.02 34.8 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.362 2.708 . . . . 0.0 112.812 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.36 -21.01 66.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.039 1.736 . . . . 0.0 112.705 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -97.99 175.53 6.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.687 1.595 . . . . 0.0 112.775 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 64.0 p -86.33 172.38 10.48 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.046 0.938 . . . . 0.0 113.389 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.56 -31.15 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.248 1.019 . . . . 0.0 111.95 174.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -56.12 -35.11 66.73 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.897 -1.127 . . . . 0.0 112.755 170.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.17 -37.17 72.19 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.92 0.782 . . . . 0.0 112.747 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 tp -56.01 -53.12 60.76 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.758 -1.214 . . . . 0.0 110.19 169.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -51.26 -44.59 61.82 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.627 1.171 . . . . 0.0 113.078 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -49.22 77.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.952 0.901 . . . . 0.0 112.376 174.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -61.65 -39.94 93.14 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.9 mt -62.25 -48.05 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.204 0.911 . . . . 0.0 110.342 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.94 -43.26 95.1 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.501 0.591 . . . . 0.0 111.815 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 t -58.01 -48.82 78.91 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.461 1.504 . . . . 0.0 112.412 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -73.78 -50.53 20.13 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.027 1.331 . . . . 0.0 112.965 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -89.5 -16.47 30.68 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.803 1.241 . . . . 0.0 114.088 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.14 156.04 25.42 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 126.461 1.981 . . . . 0.0 113.148 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.51 -26.4 68.69 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.805 1.242 . . . . 0.0 113.219 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -65.33 -41.98 93.42 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.81 1.244 . . . . 0.0 112.329 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.14 -54.16 5.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.541 1.136 . . . . 0.0 112.022 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -141.01 82.5 14.91 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 124.95 1.3 . . . . 0.0 111.804 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.68 151.71 64.0 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.323 2.015 . . . . 0.0 110.009 170.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.6 t -57.84 -45.47 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 120.26 -1.525 . . . . 0.0 111.264 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.37 -18.02 63.74 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.93 -22.24 6.36 Favored Glycine 0 N--CA 1.475 1.254 0 C-N-CA 125.076 1.322 . . . . 0.0 115.014 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -80.04 151.87 29.69 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 118.729 1.264 . . . . 0.0 112.507 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -127.77 150.45 49.8 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.384 1.874 . . . . 0.0 110.027 169.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -123.17 124.07 42.22 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.657 1.983 . . . . 0.0 110.507 -169.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.28 126.19 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.162 1.385 . . . . 0.0 110.41 -171.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -132.38 143.57 49.93 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.74 1.216 . . . . 0.0 111.498 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 46.97 35.47 3.34 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.682 1.193 . . . . 0.0 114.206 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.27 12.27 84.32 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.915 2.198 . . . . 0.0 116.147 -177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -128.75 133.37 48.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.238 1.815 . . . . 0.0 111.725 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -68.72 128.06 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.582 0.753 . . . . 0.0 110.721 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.0 mt -72.25 125.5 27.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.999 1.72 . . . . 0.0 111.272 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -68.67 118.9 12.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.989 0.916 . . . . 0.0 110.34 172.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.47 -33.51 63.73 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.41 -17.31 42.64 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.301 1.04 . . . . 0.0 113.546 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.1 m -82.73 151.5 26.16 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.88 1.272 . . . . 0.0 111.02 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.87 157.93 32.71 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.51 -35.39 80.72 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.864 0.866 . . . . 0.0 112.976 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -61.06 -27.88 68.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.299 1.44 . . . . 0.0 113.887 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -64.91 -18.01 64.84 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.846 1.259 . . . . 0.0 113.947 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.32 0.64 15.76 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.624 1.57 . . . . 0.0 112.367 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp 45.57 42.29 7.92 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.902 2.481 . . . . 0.0 113.427 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.0 mt -58.54 129.93 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.129 1.372 . . . . 0.0 110.174 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -99.46 157.27 16.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.237 1.015 . . . . 0.0 111.614 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -76.45 -38.46 55.39 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.835 0.854 . . . . 0.0 112.812 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -78.74 -34.35 45.87 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.155 1.382 . . . . 0.0 112.394 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -74.3 169.76 16.98 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.825 0.45 . . . . 0.0 110.078 169.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -118.76 143.88 46.62 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -92.43 154.8 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.662 1.585 . . . . 0.0 107.4 168.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.2 t -106.89 132.05 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.727 -0.608 . . . . 0.0 109.824 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.49 136.7 53.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 125.34 1.456 . . . . 0.0 109.838 171.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -132.1 162.03 31.83 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.956 1.302 . . . . 0.0 111.133 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p -133.98 128.84 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.329 1.451 . . . . 0.0 109.419 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.2 p -75.93 165.09 25.49 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.355 98.2 mttt 52.73 -96.08 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 128.61 2.764 . . . . 0.0 114.37 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -52.65 157.85 6.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 CA-C-N 125.016 2.827 . . . . 0.0 116.839 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -138.66 0.2 2.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.957 2.103 . . . . 0.0 115.254 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.1 142.68 54.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.659 1.184 . . . . 0.0 112.295 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -141.0 160.4 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.961 1.704 . . . . 0.0 111.636 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.8 m -77.47 81.2 3.94 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.191 1.396 . . . . 0.0 112.241 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 p -64.52 145.51 98.48 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.214 1.006 . . . . 0.0 112.42 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.46 173.62 14.19 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.564 2.843 . . . . 0.0 112.809 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -139.46 162.67 50.21 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.878 1.671 . . . . 0.0 111.767 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -55.74 93.6 0.05 OUTLIER 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 125.054 3.836 . . . . 0.0 115.216 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.74 -22.03 66.25 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.62 1.168 . . . . 0.0 113.798 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -58.64 -21.31 53.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.969 1.308 . . . . 0.0 114.051 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.7 tp -52.65 -30.0 29.34 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.369 1.468 . . . . 0.0 113.475 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.04 -13.24 57.42 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.199 1.4 . . . . 0.0 114.723 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -135.13 -43.05 0.72 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.657 1.183 . . . . 0.0 113.559 174.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . 0.266 26.8 p-80 45.41 22.75 0.1 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 129.365 3.066 . . . . 0.0 116.437 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -137.49 166.69 23.26 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 128.319 2.648 . . . . 0.0 110.319 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -138.71 163.77 31.28 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.593 1.557 . . . . 0.0 112.73 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -70.77 -26.23 63.25 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.429 1.092 . . . . 0.0 113.52 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 125.9 1.68 . . . . 0.0 112.085 176.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 18.8 m -64.69 -8.9 16.35 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -171.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 173.15 0.79 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.61 1.564 . . . . 0.0 114.093 173.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 25.3 ptp -61.46 -14.43 28.68 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . 0.258 1.1 t 54.41 -11.59 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 130.89 3.676 . . . . 0.0 118.832 175.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 41.3 pt -66.19 167.96 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.679 1.591 . . . . 0.0 112.634 170.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 8.1 t -135.61 178.85 6.72 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.706 1.602 . . . . 0.0 112.187 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -113.5 101.47 9.39 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.36 1.864 . . . . 0.0 111.44 -171.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -70.29 2.53 3.7 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.524 1.53 . . . . 0.0 113.955 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.36 -10.1 30.37 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.543 2.337 . . . . 0.0 114.691 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -124.1 166.64 15.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.828 1.651 . . . . 0.0 112.829 -171.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 174.16 176.29 42.44 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.69 1.138 . . . . 0.0 114.124 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -69.62 103.78 2.2 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.874 1.67 . . . . 0.0 111.625 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 24.1 p -71.81 -60.76 2.06 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.493 1.517 . . . . 0.0 112.769 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -98.91 99.83 2.2 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.094 1.807 . . . . 0.0 112.407 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.22 150.36 42.25 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 124.199 0.999 . . . . 0.0 112.774 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -60.17 167.96 6.82 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.611 2.874 . . . . 0.0 114.639 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -82.55 56.69 3.41 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.114 1.366 . . . . 0.0 108.994 168.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 15.5 mt 68.79 -8.66 0.62 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 129.965 3.306 . . . . 0.0 116.325 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 47.1 m -58.01 -29.84 65.61 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -169.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 12.2 m -100.24 -7.72 24.32 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -97.07 136.08 38.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.268 1.027 . . . . 0.0 113.598 -169.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 61.5 p -66.71 169.92 7.17 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.752 0.821 . . . . 0.0 111.225 169.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.86 -40.78 73.38 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.78 -1.2 . . . . 0.0 111.869 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.54 -42.15 98.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.625 1.17 . . . . 0.0 112.929 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.51 -40.19 77.11 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.174 -0.953 . . . . 0.0 112.586 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.26 -44.14 95.54 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.025 0.93 . . . . 0.0 111.277 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 52.7 mt -56.72 -52.98 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.671 1.188 . . . . 0.0 111.386 170.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.49 -34.43 74.05 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.864 1.211 . . . . 0.0 113.243 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.51 -45.7 91.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.206 1.002 . . . . 0.0 111.553 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.09 79.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.102 0.961 . . . . 0.0 112.912 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.1 mtt -56.02 -58.56 7.41 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 125.596 1.559 . . . . 0.0 111.007 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -52.17 -42.69 63.65 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.74 0.816 . . . . 0.0 112.915 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 74.0 mtm -59.72 -56.6 19.85 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.211 0.914 . . . . 0.0 112.414 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 79.0 p -64.14 -35.9 82.28 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.1 -47.23 86.76 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.713 2.005 . . . . 0.0 111.068 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -68.1 -38.8 82.71 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.449 -0.782 . . . . 0.0 112.151 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -57.38 -38.97 89.62 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.225 0.917 . . . . 0.0 113.28 169.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -68.89 1.82 3.09 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.406 1.882 . . . . 0.0 115.175 172.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 86.09 17.74 0.11 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 128.929 2.892 . . . . 0.0 113.768 169.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -68.65 -4.87 17.15 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 70.53 32.46 67.72 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 120.699 -1.251 . . . . 0.0 114.95 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 64.82 14.49 9.23 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.663 1.985 . . . . 0.0 114.556 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -62.41 161.1 12.22 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 120.732 -1.23 . . . . 0.0 112.872 171.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.84 -15.2 54.85 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.59 1.156 . . . . 0.0 113.366 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 48.7 m -68.32 94.01 0.51 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.5 1.92 . . . . 0.0 112.393 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -67.95 -14.51 63.02 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.283 1.833 . . . . 0.0 113.054 173.033 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttp . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -96.21 83.11 3.54 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.379 1.072 . . . . 0.0 110.5 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.17 136.03 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.358 1.463 . . . . 0.0 110.186 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.9 m -82.39 132.65 35.21 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.768 -0.583 . . . . 0.0 109.486 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.71 149.54 28.02 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.586 1.554 . . . . 0.0 111.011 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -138.03 136.73 37.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.113 1.765 . . . . 0.0 111.296 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 p -99.4 164.63 12.03 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.264 1.426 . . . . 0.0 111.696 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -68.09 -15.74 63.72 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.63 6.28 15.58 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.737 1.215 . . . . 0.0 111.889 169.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 62.57 23.49 13.96 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 128.07 2.548 . . . . 0.0 113.984 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -86.52 152.71 22.41 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.746 0.818 . . . . 0.0 109.566 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -132.45 144.8 50.73 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.015 0.912 . . . . 0.0 112.957 -177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -146.05 -174.98 4.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.825 2.45 . . . . 0.0 109.864 -172.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 153.39 50.31 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.825 -1.172 . . . . 0.0 112.133 169.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mm -135.74 113.39 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 126.385 1.874 . . . . 0.0 109.84 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -75.77 97.96 4.0 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.091 1.756 . . . . 0.0 110.558 169.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.408 HD11 ' H ' ' A' ' 18' ' ' ASP . 6.7 tp -124.28 151.68 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.943 1.697 . . . . 0.0 111.884 -174.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.408 ' H ' HD11 ' A' ' 17' ' ' ILE . 21.6 m-20 -80.26 114.72 49.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 O-C-N 121.282 -0.886 . . . . 0.0 111.351 174.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -72.68 -16.55 26.7 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.123 2.549 . . . . 0.0 114.185 -172.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -75.41 -18.98 59.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.966 1.306 . . . . 0.0 112.905 171.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.78 172.09 14.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.188 0.995 . . . . 0.0 111.695 171.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 29.9 p -89.74 173.86 8.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 122.564 1.173 . . . . 0.0 113.502 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.12 -29.51 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.503 1.521 . . . . 0.0 112.497 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -57.62 -37.66 73.66 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.37 1.068 . . . . 0.0 112.238 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.55 66.68 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.792 0.837 . . . . 0.0 112.956 174.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.38 -55.23 33.95 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.553 -1.342 . . . . 0.0 110.376 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -51.01 -44.24 60.97 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.818 1.247 . . . . 0.0 113.491 170.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -47.17 83.17 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.414 1.006 . . . . 0.0 112.411 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.14 -36.92 77.97 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.429 0.691 . . . . 0.0 112.623 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.3 mt -59.54 -51.27 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.005 0.922 . . . . 0.0 110.806 170.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.03 -46.52 88.0 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.453 0.701 . . . . 0.0 111.619 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.3 t -57.44 -46.0 84.08 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.74 1.216 . . . . 0.0 112.754 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.48 -56.33 7.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.54 1.136 . . . . 0.0 112.749 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.22 -18.35 30.51 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.47 154.63 30.89 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.872 2.177 . . . . 0.0 113.24 -175.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.18 -30.23 70.66 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.704 1.202 . . . . 0.0 113.646 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.49 -34.2 76.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.788 0.722 . . . . 0.0 112.692 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.17 -56.33 4.66 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.824 0.85 . . . . 0.0 111.609 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -142.77 81.03 13.53 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.041 1.337 . . . . 0.0 111.946 -171.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.54 139.55 25.72 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 123.132 2.555 . . . . 0.0 110.683 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.7 t -50.11 -48.88 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.305 1.042 . . . . 0.0 112.349 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.05 -18.16 63.98 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.83 -19.63 12.86 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.489 1.518 . . . . 0.0 114.271 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -68.79 149.3 49.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.532 1.133 . . . . 0.0 113.257 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -134.92 146.29 49.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.231 2.213 . . . . 0.0 108.114 167.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.1 124.54 39.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.81 1.644 . . . . 0.0 110.282 -169.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -132.61 127.14 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.193 1.397 . . . . 0.0 110.868 -169.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -132.63 143.55 49.75 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.813 1.245 . . . . 0.0 111.124 172.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.97 27.21 3.09 Favored 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.6 32.41 74.72 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.918 1.723 . . . . 0.0 114.665 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -134.21 129.46 35.77 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.422 2.289 . . . . 0.0 110.87 170.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -69.4 125.3 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.617 -0.677 . . . . 0.0 110.35 172.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.2 129.2 37.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.656 1.582 . . . . 0.0 110.946 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -78.3 131.16 36.94 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.61 -18.91 22.49 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.53 1.932 . . . . 0.0 115.583 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -111.18 3.41 18.46 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.677 1.591 . . . . 0.0 113.213 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -107.98 140.9 40.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.948 1.699 . . . . 0.0 110.072 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.94 155.71 38.38 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.49 -29.66 70.34 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.205 -0.935 . . . . 0.0 112.833 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -48.92 -38.56 23.15 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.585 1.954 . . . . 0.0 113.193 169.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -67.45 -15.02 63.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.76 1.624 . . . . 0.0 114.493 -173.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -115.8 0.55 13.19 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.782 1.633 . . . . 0.0 112.561 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 45.05 41.23 5.29 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.975 2.51 . . . . 0.0 113.812 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.56 134.86 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.44 1.496 . . . . 0.0 109.631 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.27 156.0 17.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.164 0.986 . . . . 0.0 111.168 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -70.73 -34.3 71.75 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.887 0.875 . . . . 0.0 112.59 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -79.04 -35.43 42.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.952 1.701 . . . . 0.0 112.58 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -71.14 163.1 28.29 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.632 0.773 . . . . 0.0 110.004 170.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -111.79 144.46 41.05 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.681 0.753 . . . . 0.0 112.698 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.69 157.29 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 126.134 1.773 . . . . 0.0 108.497 169.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.2 t -106.91 123.96 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.644 -0.66 . . . . 0.0 110.445 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.61 136.82 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.269 1.427 . . . . 0.0 109.608 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.8 ptm -135.63 163.05 31.03 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.679 1.191 . . . . 0.0 111.127 171.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p -134.2 123.66 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.219 1.408 . . . . 0.0 109.326 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.9 p -76.67 165.19 25.09 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt 23.84 80.01 0.2 Allowed Pre-proline 0 N--CA 1.483 1.18 0 C-N-CA 129.653 3.181 . . . . 0.0 115.179 172.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.89 165.1 1.31 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.407 3.405 . . . . 0.0 115.64 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -68.22 -9.85 50.17 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.31 103.23 1.92 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.607 1.963 . . . . 0.0 112.295 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.2 m 39.16 56.58 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 127.867 2.467 . . . . 0.0 114.507 174.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.7 t -57.64 -38.24 74.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.315 1.446 . . . . 0.0 114.6 -171.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.9 p -134.22 158.56 74.99 Favored Pre-proline 0 N--CA 1.48 1.067 0 C-N-CA 125.334 1.454 . . . . 0.0 112.684 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -59.37 150.17 76.64 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.563 2.842 . . . . 0.0 114.347 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -147.65 -66.62 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.058 0 C-N-CA 124.795 1.238 . . . . 0.0 112.888 169.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -75.86 -9.67 19.63 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.599 2.199 . . . . 0.0 115.436 -176.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.97 59.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.859 1.663 . . . . 0.0 112.788 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.7 t -161.67 158.98 26.86 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.542 1.937 . . . . 0.0 110.38 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.79 -23.31 66.12 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.067 1.347 . . . . 0.0 112.49 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.41 72.64 3.15 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.674 1.19 . . . . 0.0 110.862 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -64.93 -1.37 1.97 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.458 1.903 . . . . 0.0 115.262 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -55.64 144.79 25.53 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.272 1.429 . . . . 0.0 114.309 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -142.57 143.89 32.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.228 2.211 . . . . 0.0 108.281 169.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -64.75 156.81 29.29 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.588 0.708 . . . . 0.0 112.175 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -81.57 -4.91 57.35 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.143 0 C-N-CA 126.016 1.726 . . . . 0.0 114.998 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 112.013 -0.435 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 47.6 m -72.12 72.05 0.87 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.987 1.715 . . . . 0.0 112.952 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -74.5 -7.29 52.54 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.066 1.747 . . . . 0.0 115.105 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 34.7 tpp -64.32 154.34 35.6 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.837 1.255 . . . . 0.0 113.412 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 39.5 p -75.08 -0.03 17.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.673 1.989 . . . . 0.0 115.552 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 84.0 mt -52.94 119.86 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.925 1.69 . . . . 0.0 110.699 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 68.5 m -120.87 168.72 11.17 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.98 1.712 . . . . 0.0 112.262 -175.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -66.16 163.4 17.75 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.351 1.06 . . . . 0.0 112.644 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -132.27 155.87 47.54 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.904 1.682 . . . . 0.0 110.852 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -108.61 0.06 20.52 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.88 1.272 . . . . 0.0 113.737 -173.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -59.93 133.59 56.24 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.034 1.334 . . . . 0.0 112.849 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -104.32 -169.29 24.84 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.819 1.676 . . . . 0.0 114.863 -172.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -132.27 154.25 49.85 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.85 2.06 . . . . 0.0 110.887 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 21.9 m -58.95 144.88 43.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.076 1.35 . . . . 0.0 110.851 169.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -171.71 -176.71 40.87 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.475 1.512 . . . . 0.0 112.817 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.18 129.51 88.64 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.509 1.124 . . . . 0.0 111.576 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -62.18 166.34 12.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.129 2.553 . . . . 0.0 114.111 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -81.32 54.29 2.26 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.383 1.473 . . . . 0.0 109.986 168.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 10.6 mp 68.97 0.52 2.8 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 129.8 3.24 . . . . 0.0 115.998 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 45.5 m -57.81 -37.07 73.12 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 19.4 m -100.17 -21.37 15.56 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -175.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -79.81 133.08 36.27 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -172.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 63.5 p -65.62 172.73 3.19 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.246 1.018 . . . . 0.0 111.429 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.36 -40.83 78.93 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 120.82 -1.175 . . . . 0.0 111.717 171.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -63.57 -43.43 97.03 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.956 1.302 . . . . 0.0 112.66 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.19 -38.04 78.45 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.148 -0.97 . . . . 0.0 112.698 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -60.2 -44.68 94.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.043 0.937 . . . . 0.0 111.256 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 56.1 mt -58.57 -51.29 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.27 1.028 . . . . 0.0 111.176 171.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -56.23 -39.37 72.42 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.503 1.047 . . . . 0.0 112.823 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.94 -47.39 83.43 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.573 0.749 . . . . 0.0 112.292 169.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.01 75.43 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 9.3 mmt -55.9 -56.7 17.52 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.994 1.318 . . . . 0.0 111.085 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -58.89 -41.46 87.18 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.739 0.816 . . . . 0.0 112.494 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 35.7 ttp -65.35 -44.72 86.8 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.661 -0.649 . . . . 0.0 111.752 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 28.9 p -64.2 -31.31 72.45 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.92 -38.16 87.37 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.147 0.979 . . . . 0.0 111.921 170.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -65.8 -10.8 40.79 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 170.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -75.95 -14.39 82.25 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.773 1.177 . . . . 0.0 112.971 169.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -100.2 -131.5 0.24 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.944 2.098 . . . . 0.0 109.957 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -81.31 -15.88 54.11 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -76.51 -4.54 43.26 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -67.76 -7.39 48.2 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.564 1.554 . . . . 0.0 116.009 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -124.9 5.7 8.03 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.881 1.673 . . . . 0.0 114.113 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -64.73 150.29 47.59 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.112 0.965 . . . . 0.0 113.173 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -73.92 -35.72 64.63 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.313 1.045 . . . . 0.0 112.616 177.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 42.4 m 58.6 0.79 0.15 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 128.219 2.607 . . . . 0.0 117.264 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -69.39 167.52 16.36 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.138 1.375 . . . . 0.0 113.2 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.825 2.05 . . . . 0.0 112.604 177.78 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 ttp . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.579 0.704 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -86.31 78.06 9.38 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.956 1.302 . . . . 0.0 111.179 -173.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.94 130.65 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.024 0.929 . . . . 0.0 109.215 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.6 m -79.89 134.83 36.32 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 169.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.05 152.17 26.28 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.562 1.545 . . . . 0.0 111.163 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -139.35 139.16 37.16 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.103 1.761 . . . . 0.0 111.475 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 p -100.63 167.9 10.04 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.997 1.319 . . . . 0.0 112.364 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.0 mt -67.72 -26.68 66.27 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.194 -0.941 . . . . 0.0 113.083 169.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -74.62 4.42 6.21 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.184 0.994 . . . . 0.0 111.925 169.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 66.43 23.05 10.64 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.5 2.32 . . . . 0.0 113.522 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -89.21 158.88 17.71 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.347 1.459 . . . . 0.0 110.195 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.8 p -138.76 146.91 41.99 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.68 0.792 . . . . 0.0 112.87 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -150.51 -171.62 3.97 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.384 2.273 . . . . 0.0 110.09 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -127.63 155.16 44.32 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.917 -1.114 . . . . 0.0 112.516 169.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.4 mm -132.25 107.94 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 127.332 2.253 . . . . 0.0 108.606 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -75.37 100.7 4.51 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.37 169.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tp -120.61 150.33 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.396 1.879 . . . . 0.0 110.773 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -72.5 118.1 64.74 Favored Pre-proline 0 CA--C 1.552 1.032 0 O-C-N 121.075 -1.015 . . . . 0.0 110.77 174.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.84 -14.06 26.71 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.893 2.395 . . . . 0.0 114.603 -172.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -87.94 -13.38 41.98 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.167 -0.958 . . . . 0.0 112.44 173.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -79.67 175.23 10.8 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 122.112 0.958 . . . . 0.0 110.308 168.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 30.1 p -93.98 173.88 7.44 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -170.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.42 -31.83 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.886 0.874 . . . . 0.0 111.385 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -60.6 -36.78 79.41 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.987 -1.071 . . . . 0.0 112.403 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -37.81 82.49 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 118.744 0.702 . . . . 0.0 112.773 172.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.64 -54.75 42.43 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.943 -1.098 . . . . 0.0 110.96 169.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.57 -42.92 45.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.576 1.15 . . . . 0.0 113.231 171.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -54.59 29.46 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.7 1.6 . . . . 0.0 112.363 171.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -68.85 -34.48 75.54 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.626 -0.671 . . . . 0.0 112.491 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.27 -50.06 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.27 1.028 . . . . 0.0 110.858 169.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.94 -43.76 86.55 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.819 0.848 . . . . 0.0 111.293 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -61.3 -49.1 78.4 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.871 1.269 . . . . 0.0 112.714 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -66.61 -58.54 4.95 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.866 1.266 . . . . 0.0 112.713 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -85.03 -14.97 45.67 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.935 1.294 . . . . 0.0 114.011 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.91 140.25 6.75 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.639 2.066 . . . . 0.0 112.273 -174.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -25.07 66.85 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.348 1.059 . . . . 0.0 113.479 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.1 -31.43 72.29 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.726 1.61 . . . . 0.0 111.905 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.59 -49.14 6.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.796 1.239 . . . . 0.0 111.837 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.63 79.16 35.52 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.825 1.65 . . . . 0.0 111.845 -173.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.58 143.88 39.0 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.821 2.348 . . . . 0.0 110.095 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.9 t -51.34 -44.03 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 120.752 -1.218 . . . . 0.0 110.769 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -0.53 3.89 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.02 1.728 . . . . 0.0 115.59 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.59 -19.96 1.14 Allowed Glycine 0 N--CA 1.477 1.399 0 C-N-CA 125.317 1.437 . . . . 0.0 115.073 174.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -63.43 146.92 52.61 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.56 1.18 . . . . 0.0 114.162 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -133.44 144.03 49.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.298 2.239 . . . . 0.0 108.692 168.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -125.35 124.27 41.18 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 126.667 1.987 . . . . 0.0 110.001 -169.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -131.8 126.8 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.084 1.353 . . . . 0.0 110.456 -171.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -132.72 139.7 47.75 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.072 1.349 . . . . 0.0 111.303 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.35 26.9 3.31 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.32 17.55 77.76 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 126.502 2.001 . . . . 0.0 115.346 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -127.04 128.17 45.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.738 2.015 . . . . 0.0 110.943 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mt -69.29 124.6 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.614 0.766 . . . . 0.0 110.165 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -68.67 128.34 36.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.921 1.688 . . . . 0.0 111.461 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -70.58 122.19 19.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.11 1.364 . . . . 0.0 111.999 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -49.05 -42.63 39.09 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.913 1.685 . . . . 0.0 114.865 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -89.53 -12.82 38.85 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.561 1.545 . . . . 0.0 113.84 -175.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.3 m -82.57 143.51 30.99 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.471 1.109 . . . . 0.0 110.606 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.91 152.24 35.43 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.97 -36.9 85.03 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.323 -0.861 . . . . 0.0 112.884 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -54.11 -26.29 26.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.638 1.575 . . . . 0.0 114.612 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -70.42 -22.5 62.72 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.22 1.008 . . . . 0.0 113.025 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -100.96 -3.12 30.13 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.232 1.813 . . . . 0.0 112.56 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mptt 47.5 36.94 5.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 128.09 2.556 . . . . 0.0 113.767 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 mt -58.79 139.15 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.21 1.404 . . . . 0.0 109.16 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -108.93 161.62 14.97 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.814 1.246 . . . . 0.0 111.032 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.88 -38.0 82.5 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.164 -0.96 . . . . 0.0 112.852 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -75.63 -36.04 60.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.223 1.409 . . . . 0.0 113.122 -177.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -70.78 158.97 35.4 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.686 1.194 . . . . 0.0 110.733 171.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -117.07 139.96 50.07 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.62 158.97 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 126.272 1.829 . . . . 0.0 108.717 169.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.6 t -110.67 132.38 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 122.988 0.515 . . . . 0.0 110.228 172.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -114.61 137.48 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 125.646 1.578 . . . . 0.0 110.292 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.1 ptm -135.72 168.94 18.35 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.186 1.394 . . . . 0.0 111.372 170.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 p -131.53 107.26 13.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 124.949 1.3 . . . . 0.0 110.137 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.9 p -80.4 173.31 12.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.648 0.779 . . . . 0.0 111.093 170.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -55.79 117.56 16.12 Favored Pre-proline 0 N--CA 1.479 0.995 0 CA-C-O 117.376 -1.297 . . . . 0.0 109.845 170.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.83 157.64 12.46 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.873 2.382 . . . . 0.0 115.87 -173.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -93.3 -0.71 56.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.766 1.226 . . . . 0.0 113.018 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.83 60.6 1.56 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.181 2.192 . . . . 0.0 111.386 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.1 p -139.85 156.64 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 125.914 1.686 . . . . 0.0 110.827 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.0 m 61.13 4.25 0.83 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.873 2.069 . . . . 0.0 115.529 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 p -70.62 154.43 94.37 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 126.289 1.836 . . . . 0.0 112.648 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.55 172.93 15.37 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.61 2.873 . . . . 0.0 112.415 174.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.58 73.8 16.58 Favored Pre-proline 0 CA--C 1.55 0.981 0 C-N-CA 126.206 1.802 . . . . 0.0 111.461 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -70.81 0.22 6.77 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.909 3.073 . . . . 0.0 115.199 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.34 -11.74 61.07 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.059 1.744 . . . . 0.0 113.842 169.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.6 t -130.63 -176.68 4.06 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.341 1.857 . . . . 0.0 111.42 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.38 66.53 0.46 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.956 2.103 . . . . 0.0 110.84 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.25 145.49 56.16 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.951 1.7 . . . . 0.0 113.012 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -130.74 -17.65 3.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.073 2.149 . . . . 0.0 112.894 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -78.57 11.53 2.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.52 1.528 . . . . 0.0 114.868 -174.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -55.34 -14.03 1.67 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.778 1.631 . . . . 0.0 115.107 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -53.81 -26.53 24.58 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.687 1.595 . . . . 0.0 114.127 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -76.73 -1.36 27.56 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 . . . . . 0 C--O 1.253 1.274 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 179.036 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.831 -0.507 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 9.3 t -63.44 158.2 21.36 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.857 -0.79 . . . . 0.0 112.639 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 19.2 p80 49.55 -35.38 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.95 1 C-N-CA 132.557 4.343 . . . . 0.0 119.158 -177.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 76.9 mtm -69.45 -35.2 75.42 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.546 1.538 . . . . 0.0 113.468 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 10.3 m -80.68 63.95 5.28 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.985 1.314 . . . . 0.0 111.312 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -20.74 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.629 1.171 . . . . 0.0 113.885 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 53.0 p -68.99 -8.29 43.44 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.891 2.076 . . . . 0.0 114.806 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.68 -23.41 67.11 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.136 1.374 . . . . 0.0 114.092 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.1 110.67 5.91 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.401 1.081 . . . . 0.0 112.071 171.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -111.58 -10.69 14.11 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -150.24 169.24 21.82 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.846 1.258 . . . . 0.0 112.888 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -101.45 124.8 8.35 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.879 1.704 . . . . 0.0 111.856 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -73.0 -5.7 40.52 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -173.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 5.7 t -63.93 169.5 4.2 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.779 1.232 . . . . 0.0 113.212 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 72.61 70.4 1.23 Allowed Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.045 1.307 . . . . 0.0 112.769 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.08 152.03 63.34 Favored Pre-proline 0 CA--C 1.554 1.128 0 C-N-CA 124.823 1.249 . . . . 0.0 112.738 -178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -61.4 169.08 7.02 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.798 2.998 . . . . 0.0 115.926 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -82.93 49.78 1.59 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.81 1.644 . . . . 0.0 108.637 168.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 1.1 tp 61.75 -5.18 0.15 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 129.857 3.263 . . . . 0.0 116.217 -169.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 21.7 p -61.24 -57.21 13.32 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.846 1.659 . . . . 0.0 114.493 -172.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 49.3 m -95.57 4.54 53.05 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.221 1.408 . . . . 0.0 113.183 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 13.5 tpp -71.8 112.57 8.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.279 1.832 . . . . 0.0 112.251 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 44.8 p -64.97 155.72 33.58 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.501 0.721 . . . . 0.0 111.045 170.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.31 -38.37 76.94 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 120.957 -1.089 . . . . 0.0 113.489 -170.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.96 -36.9 85.02 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.737 0.815 . . . . 0.0 112.792 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.3 -31.82 54.95 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.354 -0.841 . . . . 0.0 112.291 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -61.14 -46.06 92.12 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.251 0.932 . . . . 0.0 110.463 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.44 -52.85 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.887 1.275 . . . . 0.0 110.74 171.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.05 76.5 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.887 1.221 . . . . 0.0 113.669 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -61.97 -46.23 90.16 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.541 1.136 . . . . 0.0 111.591 169.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.49 83.12 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.354 -0.841 . . . . 0.0 113.218 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 47.5 mtt -57.57 -51.3 70.05 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.277 1.031 . . . . 0.0 111.686 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -56.4 -44.54 80.37 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.052 0.941 . . . . 0.0 112.794 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.51 -48.81 76.05 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.839 0.745 . . . . 0.0 111.656 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 27.5 p -65.69 -26.47 67.79 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.12 -42.77 99.14 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.778 1.231 . . . . 0.0 110.93 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -71.49 -32.44 68.26 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 172.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -62.3 -27.28 69.01 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 123.912 0.768 . . . . 0.0 113.989 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -85.56 -73.56 0.44 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.638 1.975 . . . . 0.0 112.846 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -138.82 -17.21 1.09 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.945 1.832 . . . . 0.0 115.945 -169.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -92.62 11.56 26.18 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.759 1.223 . . . . 0.0 113.896 -175.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -76.31 83.06 0.99 Allowed Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.123 1.82 . . . . 0.0 113.471 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 53.06 41.27 32.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.433 1.893 . . . . 0.0 113.406 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -64.29 165.88 8.87 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.919 1.287 . . . . 0.0 113.268 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.64 -43.38 97.62 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.103 1.361 . . . . 0.0 113.116 -177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 78.4 p -151.58 168.38 25.13 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.594 1.558 . . . . 0.0 112.418 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -72.05 171.83 11.18 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.497 1.119 . . . . 0.0 112.837 172.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 125.953 1.701 . . . . 0.0 113.748 173.827 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 mtp . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -85.98 78.52 9.44 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.391 -0.818 . . . . 0.0 109.367 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.98 135.24 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.746 1.618 . . . . 0.0 109.847 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.2 m -82.37 134.87 35.26 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.611 -0.681 . . . . 0.0 110.082 169.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.93 151.16 27.43 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.206 1.803 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -137.95 126.62 23.69 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.241 1.817 . . . . 0.0 111.204 172.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 p -84.86 168.14 15.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.057 1.343 . . . . 0.0 112.156 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.82 -23.88 64.32 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.06 -1.025 . . . . 0.0 113.572 171.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -77.92 6.42 7.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.007 0.923 . . . . 0.0 112.203 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 58.64 32.97 22.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.444 2.698 . . . . 0.0 114.356 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -88.98 149.38 23.3 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 169.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 p -129.85 139.58 51.17 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.932 0.872 . . . . 0.0 112.498 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -144.33 -179.62 6.65 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.152 2.181 . . . . 0.0 110.089 -173.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.45 149.35 50.61 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.146 -0.971 . . . . 0.0 111.424 169.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.2 mm -129.43 113.44 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.712 2.005 . . . . 0.0 109.286 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -77.44 97.2 4.89 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.783 1.233 . . . . 0.0 110.094 170.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -120.45 145.71 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 127.101 2.161 . . . . 0.0 111.293 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.72 121.8 68.7 Favored Pre-proline 0 CA--C 1.548 0.877 0 O-C-N 121.391 -0.818 . . . . 0.0 110.25 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.99 -27.96 80.11 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.475 2.783 . . . . 0.0 114.269 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -74.08 -17.84 60.9 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.199 1.8 . . . . 0.0 114.12 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -75.95 -10.37 59.37 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.7 p 82.17 174.03 0.1 Allowed 'General case' 0 N--CA 1.483 1.212 1 C-N-CA 132.273 4.229 . . . . 0.0 114.044 177.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.64 -33.34 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 120.743 -1.223 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -62.47 -26.49 68.55 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.998 -1.063 . . . . 0.0 112.757 173.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.41 -31.88 42.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.082 0.953 . . . . 0.0 113.299 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 tp -56.48 -51.35 68.78 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.652 -1.28 . . . . 0.0 108.782 169.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -53.84 -42.57 68.65 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.77 1.628 . . . . 0.0 113.611 169.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -43.65 96.77 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.353 1.433 . . . . 0.0 112.944 174.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -63.17 -46.15 88.49 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.329 1.051 . . . . 0.0 112.138 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -58.01 -49.75 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.534 1.134 . . . . 0.0 110.805 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -50.21 69.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.737 1.215 . . . . 0.0 112.038 174.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -60.45 -47.93 83.97 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.703 1.201 . . . . 0.0 112.906 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -70.43 -53.84 14.8 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.326 1.451 . . . . 0.0 112.72 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -88.89 -15.62 33.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -169.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.19 122.69 3.62 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.172 1.844 . . . . 0.0 112.896 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 pttm -53.17 -33.1 51.09 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.234 1.414 . . . . 0.0 114.609 -172.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.5 -33.37 75.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.126 0.57 . . . . 0.0 112.261 -172.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.88 -24.73 14.57 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.627 1.171 . . . . 0.0 112.951 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -131.54 68.15 80.74 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 126.651 1.98 . . . . 0.0 111.612 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.09 139.05 11.68 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.963 2.442 . . . . 0.0 111.626 -176.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -51.98 -46.2 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 120.928 -1.107 . . . . 0.0 111.54 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 -2.64 13.12 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.49 -16.97 2.21 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 126.016 1.77 . . . . 0.0 115.329 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -67.35 137.31 55.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.213 1.506 . . . . 0.0 112.449 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -121.29 149.17 43.31 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.583 1.553 . . . . 0.0 109.066 168.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.49 124.16 28.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 126.233 1.813 . . . . 0.0 109.395 -169.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.94 120.73 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.054 1.342 . . . . 0.0 110.486 -169.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -127.75 147.7 50.41 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.274 1.03 . . . . 0.0 111.567 169.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.22 26.53 2.99 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.953 1.301 . . . . 0.0 114.26 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.72 19.28 79.71 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.161 1.362 . . . . 0.0 115.141 -174.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -127.0 129.82 48.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.51 1.924 . . . . 0.0 111.29 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -67.66 127.12 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.492 0.717 . . . . 0.0 110.545 175.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -75.64 138.68 41.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.744 1.617 . . . . 0.0 111.857 -176.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -73.07 122.09 21.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.786 1.235 . . . . 0.0 110.829 175.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.08 -33.56 26.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.398 1.479 . . . . 0.0 114.483 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -100.25 -3.66 31.0 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.0 m -88.19 145.34 25.96 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.511 1.125 . . . . 0.0 110.291 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.26 153.82 39.23 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.082 -1.011 . . . . 0.0 113.408 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.47 -29.95 70.67 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.114 0.966 . . . . 0.0 113.019 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -58.16 -35.14 71.11 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.733 1.613 . . . . 0.0 113.026 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.0 -17.48 64.47 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.035 1.334 . . . . 0.0 113.829 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -107.17 -0.11 22.97 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.041 1.737 . . . . 0.0 112.668 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 47.71 36.58 5.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.815 2.446 . . . . 0.0 114.017 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.56 146.28 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.148 1.379 . . . . 0.0 108.972 171.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -122.89 163.68 19.88 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.079 1.352 . . . . 0.0 111.279 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.7 -27.96 60.61 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.321 -0.862 . . . . 0.0 112.573 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -79.31 -37.88 36.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.548 1.539 . . . . 0.0 112.953 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -74.26 168.07 20.35 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.085 1.354 . . . . 0.0 111.24 173.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -116.18 141.73 47.76 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.575 0.75 . . . . 0.0 112.371 173.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.75 161.94 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.17 1.788 . . . . 0.0 109.582 169.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.8 t -112.22 133.39 58.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 O-C-N 121.739 -0.6 . . . . 0.0 110.465 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -121.29 140.52 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.38 1.472 . . . . 0.0 111.323 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -141.78 173.38 11.56 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.722 1.609 . . . . 0.0 111.65 173.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 p -130.82 103.95 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.948 1.299 . . . . 0.0 110.084 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 p -77.88 172.99 12.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.784 1.234 . . . . 0.0 111.249 172.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -58.56 115.62 12.27 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-O 117.907 -1.045 . . . . 0.0 110.304 170.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.75 162.77 10.16 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.912 2.408 . . . . 0.0 115.607 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -118.77 -2.67 10.87 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 175.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 47.93 -158.5 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.001 1.72 . . . . 0.0 113.371 -171.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.6 m -129.92 163.15 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.982 1.713 . . . . 0.0 111.572 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 m -70.27 -30.95 68.11 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -81.88 164.19 49.92 Favored Pre-proline 0 N--CA 1.476 0.87 0 C-N-CA 125.97 1.708 . . . . 0.0 112.401 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -53.86 139.15 69.45 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.206 2.604 . . . . 0.0 112.639 169.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -144.13 158.23 55.6 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 124.955 1.302 . . . . 0.0 112.35 -175.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.26 5.1 5.68 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 124.166 3.244 . . . . 0.0 114.676 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.94 99.36 1.05 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.069 1.747 . . . . 0.0 111.408 173.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.6 p -70.1 -15.83 63.03 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.846 1.258 . . . . 0.0 114.394 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.1 tp 55.84 14.63 1.39 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.898 2.079 . . . . 0.0 114.15 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 52.56 28.86 6.46 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.869 2.068 . . . . 0.0 114.28 -176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -65.44 166.72 9.8 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.845 -1.16 . . . . 0.0 113.192 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.67 157.46 44.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.141 1.377 . . . . 0.0 112.33 176.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -69.01 0.55 4.41 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -170.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -66.62 -7.45 20.52 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.12 1.368 . . . . 0.0 114.413 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -61.33 171.37 1.42 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.038 1.335 . . . . 0.0 113.538 171.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.0 m80 . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.374 1.47 . . . . 0.0 113.088 174.146 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 12.4 t -69.4 164.99 21.75 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.391 1.076 . . . . 0.0 113.044 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 166.3 3.79 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.77 1.628 . . . . 0.0 113.488 169.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 62.5 mtt -121.92 -3.42 9.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.185 1.394 . . . . 0.0 113.896 -175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 34.4 p -65.29 -21.1 66.68 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.16 1.384 . . . . 0.0 114.245 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -9.56 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.455 1.502 . . . . 0.0 114.317 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 80.9 p -66.22 -13.03 59.67 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 173.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -64.71 170.64 3.95 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.377 1.471 . . . . 0.0 114.009 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -139.82 109.68 6.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.516 1.526 . . . . 0.0 110.695 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -23.65 48.46 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 170.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -65.86 156.43 33.37 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.307 1.443 . . . . 0.0 112.934 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 111.59 -9.97 28.13 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 126.052 1.786 . . . . 0.0 114.524 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -132.04 77.04 1.74 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.757 2.023 . . . . 0.0 109.799 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 24.6 p -127.95 -63.51 1.01 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.786 1.634 . . . . 0.0 111.974 -170.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 71.79 -173.25 44.86 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.934 1.254 . . . . 0.0 113.945 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 15.4 tp -138.46 116.9 9.37 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.496 1.518 . . . . 0.0 110.47 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -77.77 170.76 18.51 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.888 3.058 . . . . 0.0 113.134 -177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -79.23 45.77 0.67 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.277 1.831 . . . . 0.0 110.697 169.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.8 mp 64.09 4.96 2.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 129.464 3.106 . . . . 0.0 115.677 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 23.3 p -59.87 -55.99 27.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.384 1.474 . . . . 0.0 113.965 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 48.8 m -96.59 -5.71 38.5 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.425 1.49 . . . . 0.0 113.661 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -75.63 123.04 24.85 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.747 1.619 . . . . 0.0 111.951 -172.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 81.4 p -62.71 162.64 10.43 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.651 0.78 . . . . 0.0 112.221 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -61.38 -36.39 80.1 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.247 -0.908 . . . . 0.0 112.042 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -65.34 -43.77 89.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.116 1.366 . . . . 0.0 112.76 173.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -69.08 -37.67 78.6 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.145 -0.972 . . . . 0.0 112.368 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -58.9 -45.16 90.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.939 0.895 . . . . 0.0 111.49 170.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 34.0 mt -56.89 -53.95 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.213 1.005 . . . . 0.0 111.0 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.21 77.36 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.841 1.201 . . . . 0.0 113.506 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -61.37 -44.51 97.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.489 1.115 . . . . 0.0 111.808 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.08 79.41 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.772 0.829 . . . . 0.0 112.337 170.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 42.2 mtt -57.42 -45.32 84.74 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.971 1.308 . . . . 0.0 112.284 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -58.31 -46.69 85.68 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.895 0.77 . . . . 0.0 112.504 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 79.0 mtm -66.16 -39.77 90.02 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.665 0.666 . . . . 0.0 111.894 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 20.7 t -58.4 -40.7 83.12 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.511 1.524 . . . . 0.0 113.502 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 75.9 mt -59.71 -38.41 81.57 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.213 1.005 . . . . 0.0 112.258 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.79 -44.64 73.2 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.752 0.706 . . . . 0.0 111.696 173.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.52 -27.2 65.57 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.846 1.212 . . . . 0.0 114.589 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -74.89 20.07 0.13 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 127.279 2.232 . . . . 0.0 114.041 169.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 56.49 58.38 4.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.005 2.122 . . . . 0.0 111.874 -169.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 51.15 50.94 18.0 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.609 1.963 . . . . 0.0 113.369 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -63.49 -9.77 32.95 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.116 1.817 . . . . 0.0 115.462 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -55.19 -26.5 39.52 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.597 1.559 . . . . 0.0 113.086 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -59.49 -18.71 42.31 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.079 1.351 . . . . 0.0 114.372 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -62.46 -16.4 55.12 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.928 1.291 . . . . 0.0 113.194 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 88.0 p -65.62 -16.61 63.89 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.94 160.49 30.72 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.263 1.025 . . . . 0.0 113.143 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.405 1.882 . . . . 0.0 112.714 176.873 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.8 ttp . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 121.61 0.719 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -84.93 75.74 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.935 1.294 . . . . 0.0 111.48 -171.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.16 119.3 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.026 1.33 . . . . 0.0 109.819 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.5 m -79.56 141.02 37.0 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.963 0.411 . . . . 0.0 110.579 170.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 mt -118.04 153.58 33.46 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.049 1.74 . . . . 0.0 111.595 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -134.16 123.94 25.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.702 2.001 . . . . 0.0 110.298 169.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 p -81.16 167.61 19.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.977 1.311 . . . . 0.0 112.114 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.1 mt -68.09 -22.35 64.91 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.025 -1.047 . . . . 0.0 113.692 170.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -79.39 5.66 12.08 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.056 1.343 . . . . 0.0 112.07 169.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 57.89 34.09 23.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.126 2.57 . . . . 0.0 114.316 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -89.34 149.21 23.12 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.893 1.277 . . . . 0.0 108.668 169.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 p -131.65 138.69 48.85 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.788 0.722 . . . . 0.0 112.67 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -144.67 171.36 14.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.481 1.912 . . . . 0.0 110.796 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -125.81 144.29 50.7 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.539 1.136 . . . . 0.0 111.964 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 mm -130.94 111.95 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.67 1.988 . . . . 0.0 109.171 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -77.45 70.66 3.86 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 122.153 0.978 . . . . 0.0 111.657 175.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.412 HD13 ' H ' ' A' ' 18' ' ' ASP . 6.6 tp -78.65 150.12 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 125.517 1.527 . . . . 0.0 111.61 177.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.412 ' H ' HD13 ' A' ' 17' ' ' ILE . 50.1 t0 -77.15 113.48 31.2 Favored Pre-proline 0 CA--C 1.554 1.115 0 O-C-N 120.938 -1.101 . . . . 0.0 111.179 172.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -70.07 -12.74 32.87 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.517 2.812 . . . . 0.0 113.807 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -72.11 -23.25 61.29 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.674 1.124 . . . . 0.0 112.237 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -84.67 176.46 8.56 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.056 1.342 . . . . 0.0 112.128 175.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.6 p -93.58 174.67 7.07 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.253 1.021 . . . . 0.0 113.587 -174.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.55 -32.02 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.159 0.983 . . . . 0.0 111.869 174.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -56.79 -39.41 74.05 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.152 -0.968 . . . . 0.0 112.069 171.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.53 -35.35 73.1 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 tp -54.11 -54.61 37.11 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.504 1.047 . . . . 0.0 110.563 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -51.61 -44.03 62.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.123 0.969 . . . . 0.0 113.549 171.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -44.96 87.49 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.676 1.19 . . . . 0.0 112.772 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -65.32 -44.26 88.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.597 1.159 . . . . 0.0 112.508 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.63 -50.62 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.873 0.869 . . . . 0.0 110.745 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.95 -43.76 91.31 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.449 0.699 . . . . 0.0 111.57 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.5 m -61.42 -44.69 96.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.132 0.973 . . . . 0.0 113.006 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.9 -58.11 3.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.465 1.106 . . . . 0.0 112.53 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -76.31 -20.03 57.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.635 1.174 . . . . 0.0 113.705 -174.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.91 141.15 6.51 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.422 1.963 . . . . 0.0 112.317 -172.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -58.91 -21.78 58.34 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.552 2.341 . . . . 0.0 114.24 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -64.18 -35.63 81.41 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.61 1.164 . . . . 0.0 112.899 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.23 -50.42 5.28 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.039 1.336 . . . . 0.0 112.105 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -137.09 80.2 35.77 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 125.676 1.59 . . . . 0.0 111.597 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.81 148.57 58.56 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.415 2.076 . . . . 0.0 110.007 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -54.32 -45.8 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 O-C-N 120.568 -1.333 . . . . 0.0 111.422 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.9 -13.68 62.11 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.254 1.575 . . . . 0.0 115.254 -177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.86 -23.22 4.03 Favored Glycine 0 N--CA 1.476 1.31 0 C-N-CA 124.78 1.181 . . . . 0.0 114.896 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -75.42 147.25 40.1 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.706 1.253 . . . . 0.0 111.983 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -128.22 151.71 48.94 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.586 1.554 . . . . 0.0 110.448 170.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -125.41 123.64 39.73 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 127.298 2.239 . . . . 0.0 109.576 -169.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.63 122.43 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.929 1.291 . . . . 0.0 110.531 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -128.37 146.54 50.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.522 1.129 . . . . 0.0 111.434 171.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.87 25.74 1.7 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.49 13.14 82.13 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.011 1.291 . . . . 0.0 115.395 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -126.33 134.89 50.97 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.791 1.637 . . . . 0.0 111.388 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.2 126.27 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 123.605 0.762 . . . . 0.0 110.761 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -69.0 125.24 26.04 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.121 1.768 . . . . 0.0 111.011 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -70.6 122.54 19.93 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.854 0.862 . . . . 0.0 111.533 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -49.55 -45.85 48.03 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.433 1.493 . . . . 0.0 113.978 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -77.62 -17.23 57.99 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.123 1.369 . . . . 0.0 114.298 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.0 m -82.69 145.3 29.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.385 1.074 . . . . 0.0 110.775 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.62 155.57 33.39 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.242 -0.911 . . . . 0.0 113.446 -177.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.69 -33.09 75.13 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.01 -29.51 69.75 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.866 1.266 . . . . 0.0 113.805 175.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.93 -20.28 66.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.592 1.157 . . . . 0.0 113.091 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -107.1 0.47 23.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.486 1.914 . . . . 0.0 112.608 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 tttm 43.6 40.61 2.99 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.616 2.766 . . . . 0.0 115.069 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.9 mt -58.77 136.85 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.314 1.446 . . . . 0.0 110.254 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -102.84 159.78 15.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.779 1.232 . . . . 0.0 111.736 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -78.13 -40.67 37.39 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -80.79 -32.66 35.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.917 1.287 . . . . 0.0 112.181 -175.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -76.42 168.92 19.2 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.955 0.502 . . . . 0.0 110.659 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -117.77 144.86 44.94 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -97.13 161.43 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 126.371 1.869 . . . . 0.0 108.115 169.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.5 t -103.18 127.82 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.321 -0.862 . . . . 0.0 110.054 173.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.5 141.26 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.142 1.377 . . . . 0.0 109.309 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -137.2 167.75 20.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.729 1.212 . . . . 0.0 111.05 170.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.8 p -137.08 123.63 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.846 1.259 . . . . 0.0 109.867 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -69.72 154.31 42.16 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -174.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.91 -37.2 0.03 OUTLIER Pre-proline 0 N--CA 1.479 0.991 0 C-N-CA 126.564 1.945 . . . . 0.0 114.454 176.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -57.7 170.52 1.9 Allowed 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 123.359 2.706 . . . . 0.0 114.404 170.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.0 pttt 47.46 7.53 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 130.471 3.509 . . . . 0.0 118.529 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.9 86.55 1.77 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.984 1.714 . . . . 0.0 112.216 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -128.91 159.4 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.964 1.706 . . . . 0.0 112.045 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.7 m -74.28 -14.41 60.9 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 -169.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.9 p -138.55 158.15 70.92 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 125.353 1.461 . . . . 0.0 112.109 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -77.0 40.35 0.8 Allowed 'Trans proline' 0 CA--C 1.549 1.246 0 C-N-CA 124.301 3.334 . . . . 0.0 113.056 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.21 -37.79 46.82 Favored Pre-proline 0 CA--C 1.555 1.153 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -55.93 148.13 59.02 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.937 2.425 . . . . 0.0 113.677 172.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -143.28 -62.07 0.41 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.742 1.217 . . . . 0.0 112.162 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.6 p -134.77 172.96 12.24 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.48 1.912 . . . . 0.0 111.459 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 pp -139.48 173.2 11.79 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.408 1.483 . . . . 0.0 112.266 174.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -125.69 -2.99 7.25 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.294 1.438 . . . . 0.0 114.199 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -65.45 111.42 3.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.19 1.396 . . . . 0.0 111.194 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -68.81 -26.19 65.06 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -72.82 163.46 28.09 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.198 0.999 . . . . 0.0 111.931 176.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.2 p80 50.33 -56.98 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 130.437 3.495 . . . . 0.0 117.894 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -68.17 90.91 0.35 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.414 2.286 . . . . 0.0 112.411 -176.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.3 m80 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.668 1.587 . . . . 0.0 112.202 175.081 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 19.0 m -61.0 -17.99 55.18 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -171.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -72.07 -13.47 61.6 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.838 1.255 . . . . 0.0 114.317 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 60.9 mtt -63.59 150.68 43.51 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.094 0.861 . . . . 0.0 112.464 175.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 8.6 t -148.58 176.13 10.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.99 1.716 . . . . 0.0 111.21 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 12.5 tt -144.96 160.74 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.351 1.46 . . . . 0.0 111.878 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.5 p -134.79 -159.74 0.99 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.314 2.246 . . . . 0.0 110.884 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.81 -24.25 66.75 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.008 -1.058 . . . . 0.0 112.325 169.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 62.56 -49.14 0.18 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 129.651 3.18 . . . . 0.0 115.142 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -79.1 1.83 22.88 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.77 1.628 . . . . 0.0 114.206 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -59.06 152.0 21.03 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.883 -1.135 . . . . 0.0 112.904 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 94.85 2.43 62.81 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.947 1.26 . . . . 0.0 116.009 174.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.08 163.35 12.57 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.062 1.431 . . . . 0.0 112.597 172.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 6.1 t -120.32 2.5 10.82 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.696 1.598 . . . . 0.0 114.243 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 89.9 179.23 44.59 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.19 1.376 . . . . 0.0 113.872 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 10.3 mp -73.37 161.45 79.05 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.774 1.229 . . . . 0.0 112.975 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.58 171.75 0.88 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 124.869 3.712 . . . . 0.0 115.867 173.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -81.39 52.8 1.92 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.571 1.548 . . . . 0.0 110.17 169.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 17.5 mt 62.42 0.25 0.59 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 128.964 2.905 . . . . 0.0 115.249 -169.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 5.9 m -54.39 -43.43 71.41 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.944 2.098 . . . . 0.0 115.124 -169.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 15.5 m -100.11 -8.68 23.42 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.572 1.149 . . . . 0.0 114.087 -175.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -88.31 132.11 34.54 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.173 0.989 . . . . 0.0 113.04 -170.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 57.9 p -71.7 176.99 4.4 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.089 1.755 . . . . 0.0 111.323 169.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -50.55 -54.68 20.58 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.065 -1.022 . . . . 0.0 112.251 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.03 -33.39 75.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.862 0.865 . . . . 0.0 113.097 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -72.4 -40.78 66.95 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.308 -0.87 . . . . 0.0 112.444 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -63.83 -42.24 97.66 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.336 -0.853 . . . . 0.0 111.276 171.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.13 -49.89 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.17 0.988 . . . . 0.0 110.959 171.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.28 -32.52 72.35 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 120.0 1.273 . . . . 0.0 113.676 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.2 -42.25 89.07 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.043 -1.036 . . . . 0.0 111.951 169.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.12 -46.23 85.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.845 0.858 . . . . 0.0 112.112 171.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.4 mtt -57.78 -45.29 86.2 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.424 1.49 . . . . 0.0 111.733 173.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.63 -47.23 85.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.312 0.96 . . . . 0.0 112.425 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 69.2 mtm -63.07 -40.26 97.16 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.192 0.906 . . . . 0.0 111.922 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 8.5 t -59.81 -38.85 83.14 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.935 1.294 . . . . 0.0 113.431 173.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 66.9 mt -65.44 -34.13 77.57 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.157 1.383 . . . . 0.0 112.746 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -66.91 -44.28 81.14 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.117 0.871 . . . . 0.0 110.606 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -59.28 -26.09 61.12 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.41 1.481 . . . . 0.0 114.577 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -74.24 30.76 0.08 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.707 2.003 . . . . 0.0 113.596 169.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 49.56 43.24 23.89 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.575 1.95 . . . . 0.0 112.245 -170.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 59.83 6.01 0.82 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.65 2.38 . . . . 0.0 115.734 -175.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 149.96 87.53 0.06 OUTLIER Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.879 1.228 . . . . 0.0 112.654 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -60.84 -21.53 63.3 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -175.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -74.95 71.36 2.05 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.327 1.451 . . . . 0.0 111.691 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.37 -17.23 62.43 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 56.4 p -75.58 164.12 26.65 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.856 1.662 . . . . 0.0 113.569 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -77.01 -22.01 53.76 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.822 2.049 . . . . 0.0 112.768 -178.488 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.821 0.343 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -92.2 84.83 5.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.413 1.085 . . . . 0.0 110.38 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.75 133.59 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.422 1.089 . . . . 0.0 109.503 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.2 m -81.37 133.52 35.43 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.729 -0.607 . . . . 0.0 109.585 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.5 147.49 29.32 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.426 1.49 . . . . 0.0 110.628 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HE3' ' CG2' ' A' ' 12' ' ' THR . 2.9 tppp? -135.63 122.6 21.34 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.84 2.456 . . . . 0.0 109.723 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.1 p -85.52 166.06 16.6 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.719 1.208 . . . . 0.0 111.778 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.7 mt -67.53 -22.59 65.42 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.805 -1.184 . . . . 0.0 113.675 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -77.26 7.98 4.59 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.129 1.372 . . . . 0.0 111.798 169.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 57.45 28.5 15.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.68 2.792 . . . . 0.0 114.242 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -89.21 157.87 18.09 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.586 1.155 . . . . 0.0 109.497 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.424 ' CG2' ' HE3' ' A' ' 6' ' ' LYS . 33.4 p -135.83 148.1 48.54 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.328 1.061 . . . . 0.0 113.665 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -146.93 -179.95 7.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.0 2.52 . . . . 0.0 109.098 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -129.13 153.11 48.01 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.18 -0.95 . . . . 0.0 111.083 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.1 mm -134.7 110.74 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 126.133 1.773 . . . . 0.0 108.876 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -77.5 99.32 5.64 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.993 169.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.444 HD13 ' H ' ' A' ' 18' ' ' ASP . 4.0 tp -117.33 143.76 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.522 1.929 . . . . 0.0 111.553 -174.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.444 ' H ' HD13 ' A' ' 17' ' ' ILE . 13.2 m-20 -77.54 121.16 83.94 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 125.648 1.579 . . . . 0.0 111.057 171.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.11 -29.84 65.47 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.22 2.613 . . . . 0.0 113.886 -174.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -77.18 -20.86 54.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.981 1.712 . . . . 0.0 114.168 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -82.77 -6.01 59.2 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -169.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.8 p 87.02 174.14 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.343 1 C-N-CA 132.012 4.125 . . . . 0.0 113.748 173.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.09 -31.9 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 O-C-N 120.769 -1.207 . . . . 0.0 112.267 176.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -56.96 -37.16 71.17 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.964 -1.085 . . . . 0.0 112.354 171.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.11 -33.83 68.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 174.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.65 -55.5 33.2 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.091 -1.005 . . . . 0.0 110.042 169.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -50.37 -43.59 54.44 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.862 1.265 . . . . 0.0 113.606 170.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -50.76 63.38 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.101 1.36 . . . . 0.0 112.189 174.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -41.14 87.64 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.627 0.771 . . . . 0.0 111.961 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.79 -49.16 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.096 0.958 . . . . 0.0 110.843 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.04 -44.35 91.76 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.635 0.774 . . . . 0.0 111.377 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -59.98 -49.33 78.11 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.682 1.193 . . . . 0.0 112.589 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.98 -52.71 32.7 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.835 1.254 . . . . 0.0 112.683 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -90.23 -15.28 31.67 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -170.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.58 150.7 24.85 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 126.779 2.133 . . . . 0.0 113.165 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -63.04 -26.34 68.8 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.609 1.164 . . . . 0.0 113.343 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.59 -36.82 83.54 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.388 1.075 . . . . 0.0 112.657 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.55 -54.04 5.0 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.573 1.149 . . . . 0.0 112.022 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -139.03 77.56 31.07 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 124.963 1.305 . . . . 0.0 111.54 -172.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.43 146.58 56.47 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 C-N-CA 122.364 2.043 . . . . 0.0 109.929 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.4 t -51.4 -45.21 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 120.933 -1.105 . . . . 0.0 112.016 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.85 -14.89 61.6 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.36 -25.05 3.9 Favored Glycine 0 N--CA 1.476 1.322 0 C-N-CA 125.065 1.316 . . . . 0.0 114.8 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -71.43 144.79 49.63 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.477 1.139 . . . . 0.0 110.964 172.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -125.79 145.05 50.38 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.397 1.479 . . . . 0.0 109.764 171.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -121.75 127.23 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 126.806 2.042 . . . . 0.0 109.812 -169.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mp -134.65 126.95 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.002 1.321 . . . . 0.0 110.801 -171.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -132.09 137.19 47.65 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.759 1.224 . . . . 0.0 111.078 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 44.76 39.27 3.35 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.339 1.456 . . . . 0.0 114.551 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.8 28.42 73.62 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 126.79 2.138 . . . . 0.0 115.238 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -130.91 129.94 42.86 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.996 2.118 . . . . 0.0 110.723 173.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -73.21 123.27 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.693 0.797 . . . . 0.0 110.86 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.15 112.48 2.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.753 1.621 . . . . 0.0 110.639 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -71.49 125.13 26.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.486 1.114 . . . . 0.0 110.677 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.53 -46.77 57.58 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.803 2.041 . . . . 0.0 114.631 -169.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -78.75 -17.42 55.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.874 1.27 . . . . 0.0 114.046 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.9 m -76.59 145.6 38.84 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.545 1.138 . . . . 0.0 110.761 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.66 155.89 31.08 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.1 -1.0 . . . . 0.0 113.113 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 99.9 mt -69.8 -26.33 64.21 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.052 0.941 . . . . 0.0 113.317 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -60.26 -32.06 70.8 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.655 1.582 . . . . 0.0 112.899 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.08 -21.57 64.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.186 1.395 . . . . 0.0 113.363 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -102.92 -3.43 26.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.03 1.732 . . . . 0.0 112.545 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 45.48 43.44 8.83 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.874 2.47 . . . . 0.0 113.409 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.11 133.97 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.917 1.287 . . . . 0.0 109.722 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -102.77 157.1 17.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.333 1.053 . . . . 0.0 111.648 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.82 -33.18 57.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.683 0.793 . . . . 0.0 112.998 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -82.98 -33.93 26.5 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.109 1.363 . . . . 0.0 112.463 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -74.04 170.08 16.18 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.252 0.621 . . . . 0.0 110.253 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -115.95 147.53 41.05 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.93 0.892 . . . . 0.0 113.217 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.84 147.63 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.242 1.817 . . . . 0.0 107.614 169.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.1 t -99.11 134.58 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 121.88 -0.513 . . . . 0.0 109.944 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.98 137.46 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.219 1.408 . . . . 0.0 110.794 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.5 ptm -137.78 170.47 16.01 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.984 1.713 . . . . 0.0 111.686 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.02 117.04 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 125.101 1.361 . . . . 0.0 109.478 175.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 p -76.22 145.2 39.95 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.42 -0.8 . . . . 0.0 112.821 -176.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -72.39 160.37 82.95 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.821 1.648 . . . . 0.0 112.065 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -55.78 164.07 4.92 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.691 2.927 . . . . 0.0 115.285 171.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -89.5 -8.57 52.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.437 1.495 . . . . 0.0 114.358 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.83 136.8 55.52 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.245 1.818 . . . . 0.0 111.902 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.259 24.4 m 49.35 -12.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 130.748 3.619 . . . . 0.0 118.204 -173.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.3 m -76.12 -38.21 57.13 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.41 1.484 . . . . 0.0 111.931 169.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -73.63 157.09 88.07 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 124.742 1.217 . . . . 0.0 112.264 171.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -69.77 160.48 49.56 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.983 2.455 . . . . 0.0 112.086 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.09 164.24 22.0 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.026 1.33 . . . . 0.0 112.797 -173.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.86 97.94 0.58 Allowed 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.716 2.944 . . . . 0.0 111.496 171.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 54.89 -173.19 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 127.195 2.198 . . . . 0.0 114.764 -174.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 36.1 p -68.75 -10.77 58.44 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.709 1.604 . . . . 0.0 114.305 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.5 tp -53.98 -54.62 36.45 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.823 1.649 . . . . 0.0 112.763 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.43 -37.68 75.89 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.17 0.988 . . . . 0.0 112.689 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -65.47 -7.08 12.5 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.192 1.397 . . . . 0.0 114.0 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -126.63 1.42 6.82 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.858 2.063 . . . . 0.0 113.11 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.406 ' CG ' ' H ' ' A' ' 93' ' ' HIS . 72.3 t60 -76.79 170.91 15.61 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.166 1.386 . . . . 0.0 113.694 -171.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.406 ' H ' ' CG ' ' A' ' 92' ' ' HIS . 26.6 t-80 -64.18 -7.51 9.34 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.667 2.387 . . . . 0.0 115.647 -174.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -66.31 -19.32 65.78 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.576 -1.328 . . . . 0.0 114.369 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.4 m80 . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.323 1.849 . . . . 0.0 113.312 179.696 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 19.1 m -59.49 -22.24 61.29 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -171.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -66.74 -17.43 64.86 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.746 1.218 . . . . 0.0 113.475 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 48.6 ttm -61.07 -11.2 7.7 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.429 1.492 . . . . 0.0 114.333 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 37.0 p -55.38 -28.29 53.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.407 1.483 . . . . 0.0 113.052 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 9.3 tp -63.3 -21.07 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 125.387 1.475 . . . . 0.0 113.85 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 50.4 m -110.86 0.91 17.36 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.439 1.496 . . . . 0.0 114.351 -172.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.09 167.05 21.92 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.799 0.84 . . . . 0.0 113.071 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -60.62 135.76 57.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.188 1.395 . . . . 0.0 111.887 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -80.29 89.51 5.51 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.007 0.923 . . . . 0.0 110.342 170.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -63.54 162.56 12.6 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.713 1.205 . . . . 0.0 112.722 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -157.64 166.62 33.91 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.922 1.249 . . . . 0.0 113.412 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -83.06 -16.97 44.87 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -173.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 40.9 p -130.4 -66.1 0.78 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.267 1.427 . . . . 0.0 112.47 -170.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 74.34 11.97 82.11 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.056 1.313 . . . . 0.0 115.136 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 16.9 tp -60.12 121.7 61.03 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 125.727 1.611 . . . . 0.0 111.742 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.65 164.82 27.76 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.484 2.789 . . . . 0.0 113.971 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -82.1 53.91 2.36 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.479 1.512 . . . . 0.0 109.062 168.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.8 mt 62.89 -10.86 0.09 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 130.76 3.624 . . . . 0.0 116.964 -172.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 33.5 p -51.66 -61.08 2.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.809 1.643 . . . . 0.0 113.895 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 82.3 p -96.3 2.85 53.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.68 1.592 . . . . 0.0 114.042 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 25.1 tpp -59.6 133.71 56.35 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.622 1.569 . . . . 0.0 112.386 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 21.0 m -67.97 148.21 51.37 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.908 0.883 . . . . 0.0 109.636 169.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.19 -44.73 79.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.786 0.835 . . . . 0.0 112.57 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -62.24 -39.53 93.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.13 0.972 . . . . 0.0 112.787 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.96 -39.68 79.33 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.325 1.05 . . . . 0.0 112.269 174.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -63.03 -41.87 99.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.419 1.088 . . . . 0.0 111.502 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.61 -48.9 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.741 1.216 . . . . 0.0 110.816 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -57.03 -37.75 72.19 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.984 1.265 . . . . 0.0 113.124 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -58.98 -47.03 86.6 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.413 1.085 . . . . 0.0 111.927 169.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.12 84.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.823 0.849 . . . . 0.0 113.281 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 8.2 mmt -53.85 -55.41 26.98 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.87 1.268 . . . . 0.0 110.863 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -48.38 -49.46 34.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.188 1.395 . . . . 0.0 112.681 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 65.9 mtm -64.72 -44.68 89.42 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.668 0.667 . . . . 0.0 111.78 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 54.0 p -64.52 -33.62 76.33 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.58 -38.43 89.51 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.003 1.321 . . . . 0.0 112.108 171.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -69.16 -30.8 69.1 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.526 -0.734 . . . . 0.0 111.861 171.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.97 -41.36 99.37 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.516 1.055 . . . . 0.0 111.055 169.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -72.92 10.21 0.96 Allowed 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 126.573 1.949 . . . . 0.0 113.314 169.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 67.34 9.0 6.67 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.199 3.0 . . . . 0.0 114.706 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 51.59 19.47 0.87 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.592 1.557 . . . . 0.0 114.76 -171.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -79.55 68.51 3.17 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 125.981 1.753 . . . . 0.0 114.059 -172.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -134.06 163.96 28.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.406 1.882 . . . . 0.0 111.385 174.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -74.86 -13.8 60.6 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.35 145.19 56.5 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.636 1.174 . . . . 0.0 112.868 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 39.6 m -72.49 -2.38 19.41 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.152 1.781 . . . . 0.0 115.079 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.06 -22.24 64.95 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -176.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.506 1.522 . . . . 0.0 113.354 175.088 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttp . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 121.769 0.795 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -86.96 79.23 8.81 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.399 1.08 . . . . 0.0 111.23 -170.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.63 119.35 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.752 1.221 . . . . 0.0 109.601 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 m -79.4 140.95 37.27 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.944 0.498 . . . . 0.0 110.037 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 mt -116.39 154.01 31.02 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.567 1.547 . . . . 0.0 111.673 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -132.91 122.79 24.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 128.242 2.617 . . . . 0.0 108.887 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -82.75 165.78 19.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.71 1.204 . . . . 0.0 111.722 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.9 mt -67.78 -21.94 65.22 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.082 -1.011 . . . . 0.0 113.4 170.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -78.0 4.98 10.82 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.784 1.233 . . . . 0.0 112.224 169.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 62.2 27.36 16.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.173 2.589 . . . . 0.0 114.177 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -87.63 157.43 19.12 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.582 1.153 . . . . 0.0 109.225 170.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.9 p -136.61 144.59 44.17 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.528 -0.732 . . . . 0.0 112.388 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -145.93 171.77 14.34 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.834 2.054 . . . . 0.0 109.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -126.96 142.19 51.61 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.108 0.963 . . . . 0.0 111.56 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 mm -128.74 111.92 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 126.754 2.022 . . . . 0.0 109.008 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.73 88.5 2.24 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.089 0.947 . . . . 0.0 110.731 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 HD13 ' H ' ' A' ' 18' ' ' ASP . 5.6 tp -99.67 146.05 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.981 1.712 . . . . 0.0 111.141 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.47 ' H ' HD13 ' A' ' 17' ' ' ILE . 5.2 m-20 -72.97 109.12 5.51 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 126.486 1.914 . . . . 0.0 110.63 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -70.43 -15.68 34.61 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.303 2.669 . . . . 0.0 112.927 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.13 -20.74 64.05 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.351 1.46 . . . . 0.0 112.602 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -93.01 -179.08 5.0 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.663 1.585 . . . . 0.0 112.255 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.6 p -97.33 175.22 6.34 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.631 1.172 . . . . 0.0 113.626 -173.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.24 -31.87 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.193 0.997 . . . . 0.0 111.63 174.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -58.63 -38.46 78.12 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.786 -1.196 . . . . 0.0 112.106 170.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.02 78.2 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.776 0.716 . . . . 0.0 112.878 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.95 -54.21 45.71 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.931 1.241 . . . . 0.0 110.476 169.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -51.75 -42.91 62.68 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -45.22 95.32 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.637 1.108 . . . . 0.0 112.802 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -45.22 93.88 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.868 1.267 . . . . 0.0 111.873 174.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.36 -52.89 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.524 1.129 . . . . 0.0 110.739 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.96 -42.35 84.8 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.77 0.828 . . . . 0.0 111.847 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -59.81 -52.32 65.96 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.506 1.522 . . . . 0.0 112.438 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -70.67 -54.43 11.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.406 1.082 . . . . 0.0 112.759 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -78.86 -19.32 52.27 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.7 1.2 . . . . 0.0 113.862 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.61 141.29 3.91 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.174 1.845 . . . . 0.0 111.661 -169.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -66.84 -15.85 63.89 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.71 -36.84 85.19 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.435 1.094 . . . . 0.0 112.28 169.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.6 -50.84 6.02 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.781 1.232 . . . . 0.0 111.925 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -136.88 83.45 28.75 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.467 1.507 . . . . 0.0 111.419 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.63 154.46 64.29 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.387 2.058 . . . . 0.0 109.746 171.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.89 -45.4 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 120.375 -1.453 . . . . 0.0 111.324 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.07 65.76 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.57 -24.77 6.9 Favored Glycine 0 N--CA 1.476 1.321 0 C-N-CA 124.735 1.16 . . . . 0.0 114.993 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.89 149.53 29.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.498 1.149 . . . . 0.0 112.814 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -127.7 153.31 46.65 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.906 1.682 . . . . 0.0 110.237 169.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -126.03 122.47 35.95 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.905 2.082 . . . . 0.0 109.994 -169.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.82 120.88 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.453 1.501 . . . . 0.0 110.012 -170.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -129.36 146.11 51.29 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.681 1.192 . . . . 0.0 112.735 172.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.97 25.45 1.65 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.407 1.483 . . . . 0.0 114.331 -174.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.74 79.7 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.721 1.629 . . . . 0.0 115.433 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -125.59 149.31 48.49 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.131 1.772 . . . . 0.0 111.281 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.32 128.35 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.203 0.601 . . . . 0.0 110.156 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.1 mt -71.12 124.1 23.65 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.029 1.732 . . . . 0.0 110.943 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -72.25 124.25 24.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.221 1.008 . . . . 0.0 111.228 177.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.58 -49.78 45.17 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.279 1.832 . . . . 0.0 114.308 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.98 -9.72 59.24 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.71 1.204 . . . . 0.0 113.986 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.4 m -85.6 146.65 26.77 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.74 1.216 . . . . 0.0 110.945 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.8 156.3 34.65 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.06 -32.76 74.16 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.86 -25.72 65.27 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.968 1.307 . . . . 0.0 114.044 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -66.2 -15.73 63.41 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.607 1.163 . . . . 0.0 113.614 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -116.41 -2.43 12.06 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.738 1.615 . . . . 0.0 112.863 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 45.1 39.56 4.0 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.862 2.465 . . . . 0.0 114.054 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mt -58.72 142.58 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.121 1.369 . . . . 0.0 109.128 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -121.27 157.83 29.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.932 1.293 . . . . 0.0 111.378 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.55 -33.54 71.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -79.67 -32.65 41.5 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.178 1.391 . . . . 0.0 113.018 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -79.18 177.3 8.93 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.345 1.458 . . . . 0.0 111.192 173.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -130.89 145.2 51.94 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.906 -1.121 . . . . 0.0 113.55 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.84 164.45 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.631 1.972 . . . . 0.0 108.98 169.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.9 t -109.81 130.36 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.469 -0.77 . . . . 0.0 110.243 171.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.1 141.24 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 125.414 1.486 . . . . 0.0 109.37 171.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -135.93 164.66 27.45 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.099 0.959 . . . . 0.0 111.658 170.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p -137.15 135.67 47.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 125.256 1.422 . . . . 0.0 109.74 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.3 p -80.16 170.88 15.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.495 1.118 . . . . 0.0 113.359 -174.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -126.73 162.1 49.21 Favored Pre-proline 0 N--CA 1.478 0.957 0 C-N-CA 125.868 1.667 . . . . 0.0 112.066 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -57.22 159.48 15.43 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 123.582 2.854 . . . . 0.0 116.02 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -137.21 11.73 3.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.405 2.282 . . . . 0.0 112.96 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.23 175.49 1.64 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.419 1.888 . . . . 0.0 114.806 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 t 65.1 87.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 128.358 2.663 . . . . 0.0 112.882 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.3 m -66.61 168.1 9.87 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.847 1.659 . . . . 0.0 113.745 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.6 p -68.57 164.25 46.61 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.562 1.545 . . . . 0.0 112.915 170.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -57.68 163.03 9.56 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 123.95 3.1 . . . . 0.0 115.474 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.82 123.21 76.36 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 125.855 1.662 . . . . 0.0 112.877 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -54.09 148.38 39.88 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.954 3.103 . . . . 0.0 114.823 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.77 -23.98 67.49 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.554 1.142 . . . . 0.0 114.03 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 33.1 p -63.87 -23.3 67.3 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.018 1.327 . . . . 0.0 113.908 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.5 mt -77.17 -33.62 56.5 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.698 1.199 . . . . 0.0 112.328 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -73.89 -46.33 45.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.449 1.1 . . . . 0.0 111.344 171.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 61.74 168.09 0.11 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 128.616 2.766 . . . . 0.0 114.962 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -82.89 165.28 19.9 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.866 1.266 . . . . 0.0 111.685 170.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -142.33 165.17 28.15 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.257 1.423 . . . . 0.0 111.901 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -137.39 167.92 20.66 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.706 1.202 . . . . 0.0 112.369 -172.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -137.79 170.24 16.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.92 1.688 . . . . 0.0 111.989 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 125.304 1.442 . . . . 0.0 112.521 175.07 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 34.2 m -62.74 161.08 13.07 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.076 1.35 . . . . 0.0 113.396 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -144.21 168.37 20.21 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.602 1.561 . . . . 0.0 112.426 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.27 172.96 7.33 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.651 1.58 . . . . 0.0 112.832 171.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 40.3 p -123.51 -0.49 8.68 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.158 1.383 . . . . 0.0 114.608 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 33.9 mm -51.51 -46.88 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.641 1.976 . . . . 0.0 113.55 -170.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 53.1 m -118.72 -4.03 10.77 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.032 1.333 . . . . 0.0 113.81 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -72.47 -20.23 61.42 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.923 1.689 . . . . 0.0 113.488 -171.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -20.19 61.85 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 173.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 59.99 -65.3 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 129.05 2.94 . . . . 0.0 115.06 -173.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -150.63 166.29 30.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.47 1.508 . . . . 0.0 112.581 -172.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -170.09 157.81 29.44 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.509 1.528 . . . . 0.0 112.69 171.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -70.05 -45.55 66.88 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.626 1.17 . . . . 0.0 113.115 -175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 75.1 p -141.69 167.97 20.88 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.566 1.947 . . . . 0.0 111.534 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -101.69 -8.27 46.23 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.777 1.179 . . . . 0.0 115.107 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 14.3 tp -151.07 129.22 5.93 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 126.398 1.879 . . . . 0.0 109.939 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.6 169.07 17.29 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.114 2.543 . . . . 0.0 112.365 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -80.92 46.26 0.88 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.626 1.57 . . . . 0.0 110.789 168.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 8.7 mp 71.74 -3.62 2.13 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 130.155 3.382 . . . . 0.0 115.815 171.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 49.5 m -59.41 -55.92 28.58 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 55.5 p -92.97 -6.06 49.27 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.45 1.5 . . . . 0.0 114.085 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.17 144.59 51.92 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.516 1.526 . . . . 0.0 112.206 -177.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 58.2 p -79.66 165.47 22.84 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.554 0.741 . . . . 0.0 111.709 171.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.39 -41.49 93.96 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.26 -0.9 . . . . 0.0 111.905 174.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.63 -41.03 98.3 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.719 0.808 . . . . 0.0 112.517 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -71.25 -35.78 71.53 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.411 -0.805 . . . . 0.0 112.598 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -59.0 -46.2 88.75 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.257 0.935 . . . . 0.0 111.369 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.08 -52.64 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.466 1.106 . . . . 0.0 110.817 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.44 76.29 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.52 1.055 . . . . 0.0 113.253 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -62.25 -43.59 98.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.074 0.95 . . . . 0.0 111.876 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -56.73 -48.67 77.25 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.456 -0.777 . . . . 0.0 112.224 171.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 42.1 mtt -57.46 -45.12 85.12 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.775 1.23 . . . . 0.0 112.165 175.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -60.26 -40.27 89.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.991 0.916 . . . . 0.0 113.028 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 72.6 mtm -69.95 -41.49 74.47 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.273 -0.892 . . . . 0.0 111.635 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 10.9 t -58.68 -42.65 89.0 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.373 1.469 . . . . 0.0 113.092 174.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 37.7 mt -58.98 -38.98 80.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.796 1.638 . . . . 0.0 112.492 171.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -69.37 -36.8 77.2 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.59 -0.694 . . . . 0.0 112.671 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -61.15 -38.34 95.45 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 123.853 0.74 . . . . 0.0 112.97 169.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.94 -64.27 0.9 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.033 1.333 . . . . 0.0 112.866 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -152.59 -30.52 0.14 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -66.83 -10.28 46.27 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -171.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -84.63 -9.04 82.05 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.272 1.415 . . . . 0.0 114.307 172.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -127.03 -16.5 5.07 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.578 1.551 . . . . 0.0 114.131 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.05 153.91 39.35 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.177 0.991 . . . . 0.0 112.399 169.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -81.43 -28.82 34.09 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 33.9 m 54.72 13.64 0.74 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.477 2.311 . . . . 0.0 116.45 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -78.37 -9.4 59.26 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.499 1.52 . . . . 0.0 114.699 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.865 2.066 . . . . 0.0 114.456 177.053 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 ttp . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 121.669 0.747 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -90.0 74.23 7.28 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 125.414 1.486 . . . . 0.0 112.045 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -63.05 136.07 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.018 1.727 . . . . 0.0 110.481 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 m -84.94 137.14 33.29 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.678 -0.639 . . . . 0.0 110.198 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.39 150.51 32.59 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.739 2.015 . . . . 0.0 110.534 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -137.67 126.73 24.31 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.175 1.79 . . . . 0.0 111.114 170.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -80.22 168.55 18.94 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.808 1.243 . . . . 0.0 112.284 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 mt -66.79 -18.91 65.61 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.864 -1.148 . . . . 0.0 114.072 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -83.45 6.48 20.07 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.031 1.332 . . . . 0.0 111.534 169.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 54.04 35.83 23.09 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.033 2.533 . . . . 0.0 114.172 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -87.87 140.43 29.51 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 169.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -127.13 136.72 52.5 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.82 0.819 . . . . 0.0 112.425 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -148.88 179.04 8.15 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.961 2.105 . . . . 0.0 109.438 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -119.81 151.82 38.24 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.725 0.81 . . . . 0.0 112.013 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 mm -131.11 108.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 127.128 2.171 . . . . 0.0 108.699 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -78.34 90.8 4.4 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.447 0.642 . . . . 0.0 110.799 170.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -106.28 145.72 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.212 1.805 . . . . 0.0 110.945 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -73.16 115.68 43.13 Favored Pre-proline 0 CA--C 1.553 1.065 0 O-C-N 121.028 -1.045 . . . . 0.0 110.782 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -72.24 -15.43 28.51 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.025 2.484 . . . . 0.0 114.123 -174.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -78.56 -18.19 55.01 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.268 0.94 . . . . 0.0 112.195 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.92 177.75 8.7 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.866 1.266 . . . . 0.0 112.134 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 43.7 p -93.41 174.57 7.14 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 122.397 1.094 . . . . 0.0 113.897 -174.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.76 -32.01 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.248 -0.908 . . . . 0.0 111.7 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -58.71 -36.5 74.36 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.038 -1.039 . . . . 0.0 112.018 170.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.43 77.95 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 tp -53.73 -54.95 30.85 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.693 -1.254 . . . . 0.0 110.347 169.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -51.18 -43.81 61.39 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.273 1.029 . . . . 0.0 113.431 170.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -46.18 89.05 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.436 1.016 . . . . 0.0 112.575 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -66.69 -38.47 86.83 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.892 0.877 . . . . 0.0 112.183 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.3 mt -60.39 -49.41 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.161 0.985 . . . . 0.0 110.825 170.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.24 -43.63 92.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.461 0.705 . . . . 0.0 111.514 177.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.6 t -60.39 -45.36 93.83 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.803 1.241 . . . . 0.0 112.51 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -67.61 -55.73 12.2 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.777 1.231 . . . . 0.0 112.724 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -88.68 -18.41 27.95 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 153.3 27.85 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 127.066 2.27 . . . . 0.0 113.366 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -62.96 -29.34 70.73 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.729 1.212 . . . . 0.0 113.252 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.71 -33.29 75.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.22 1.008 . . . . 0.0 112.611 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.09 -54.48 4.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.696 1.198 . . . . 0.0 112.058 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -139.61 77.4 28.25 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.109 1.364 . . . . 0.0 111.725 -172.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -72.11 142.29 37.86 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.829 2.352 . . . . 0.0 110.292 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.7 t -51.11 -46.87 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 120.872 -1.143 . . . . 0.0 111.751 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.99 -16.43 63.89 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.54 -21.28 7.66 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.531 1.539 . . . . 0.0 114.492 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -67.98 143.92 55.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.325 1.05 . . . . 0.0 113.319 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -131.83 138.43 48.49 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.523 1.929 . . . . 0.0 107.834 168.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -120.82 127.1 51.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.558 1.943 . . . . 0.0 110.332 -169.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.08 126.04 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.256 1.422 . . . . 0.0 110.235 -170.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -132.16 134.83 45.86 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.061 1.344 . . . . 0.0 110.733 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.36 34.7 6.78 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.21 15.83 76.88 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.211 1.862 . . . . 0.0 115.706 -177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -121.58 136.37 54.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.312 1.845 . . . . 0.0 110.323 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 mt -77.99 127.43 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.563 0.696 . . . . 0.0 109.747 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.3 mt -66.66 116.87 8.06 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.236 1.814 . . . . 0.0 110.36 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -69.88 124.63 24.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.175 0.99 . . . . 0.0 111.309 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.44 -50.12 42.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.253 1.821 . . . . 0.0 114.462 -172.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.38 -14.55 59.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.702 1.201 . . . . 0.0 113.941 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.2 m -79.66 146.7 32.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.851 1.26 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.97 159.03 31.28 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.49 -32.49 70.03 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.089 -1.007 . . . . 0.0 113.51 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -57.98 -25.93 61.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.785 1.234 . . . . 0.0 114.033 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -66.13 -18.3 65.26 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.779 1.232 . . . . 0.0 113.785 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -113.4 -3.28 13.78 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.635 1.574 . . . . 0.0 112.731 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 43.51 43.29 4.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.986 2.514 . . . . 0.0 113.654 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.2 mt -59.97 139.71 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.251 1.421 . . . . 0.0 109.345 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -109.01 158.65 17.52 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.482 1.113 . . . . 0.0 111.627 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -70.65 -39.86 73.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.004 0.921 . . . . 0.0 112.689 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -80.11 -31.65 39.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.099 1.36 . . . . 0.0 112.774 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -75.26 169.21 18.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.034 0.534 . . . . 0.0 110.872 170.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -116.27 149.22 39.58 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.883 0.873 . . . . 0.0 113.174 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.77 157.6 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.288 1.835 . . . . 0.0 108.549 169.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.7 t -105.36 129.09 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 121.859 -0.526 . . . . 0.0 110.097 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.1 p -115.25 137.18 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.393 1.477 . . . . 0.0 110.272 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.11 163.07 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.383 1.473 . . . . 0.0 111.055 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.1 p -130.99 107.61 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.091 1.356 . . . . 0.0 108.921 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.2 p -73.92 138.37 44.23 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -169.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -67.87 159.9 76.73 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 125.934 1.694 . . . . 0.0 112.555 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -57.32 164.15 7.28 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.76 2.973 . . . . 0.0 114.848 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -130.73 -4.91 4.09 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.85 1.66 . . . . 0.0 114.473 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -153.27 169.57 22.73 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.054 1.742 . . . . 0.0 112.345 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.81 -16.63 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.646 1.579 . . . . 0.0 113.99 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.8 p -158.22 169.59 24.17 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.255 1.822 . . . . 0.0 111.757 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 p -71.59 159.26 86.03 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 124.773 1.229 . . . . 0.0 111.827 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.8 159.03 53.93 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 122.77 2.314 . . . . 0.0 111.882 172.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.4 149.94 97.15 Favored Pre-proline 0 CA--C 1.554 1.102 0 C-N-CA 123.553 0.741 . . . . 0.0 112.584 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -57.22 162.0 10.32 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.792 2.995 . . . . 0.0 114.014 169.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.48 151.69 46.45 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.818 0.847 . . . . 0.0 112.571 173.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.4 p -142.65 -175.1 4.34 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.685 1.994 . . . . 0.0 110.894 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -64.53 -7.77 11.43 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -53.9 137.99 37.55 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.778 1.172 . . . . 0.0 111.336 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.7 t60 62.66 -24.43 0.05 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.386 2.674 . . . . 0.0 115.989 -174.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -72.95 -46.25 53.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.626 1.57 . . . . 0.0 111.178 170.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -67.67 158.71 31.58 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.854 1.662 . . . . 0.0 111.197 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -66.27 161.62 21.85 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.377 -0.827 . . . . 0.0 112.672 173.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -70.78 165.95 22.01 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.383 1.073 . . . . 0.0 112.701 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.9 t60 . . . . . 0 C--O 1.255 1.371 0 C-N-CA 125.692 1.597 . . . . 0.0 112.59 176.605 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.514 -0.635 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 20.5 m -58.07 -23.6 55.21 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -58.64 -19.32 38.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.295 1.438 . . . . 0.0 114.043 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 25.3 ttt -69.56 -13.23 62.22 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.511 1.524 . . . . 0.0 113.919 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 10.4 t -59.97 149.7 31.16 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 10.2 tp -83.27 -20.99 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.362 1.465 . . . . 0.0 113.152 175.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 92.6 p -61.71 -22.39 65.31 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -169.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -68.57 -21.72 64.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.758 1.223 . . . . 0.0 113.349 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -80.13 87.7 5.47 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.694 1.198 . . . . 0.0 111.78 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -140.13 162.61 34.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.199 1.4 . . . . 0.0 112.544 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -83.3 -21.16 33.32 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 69.98 5.27 52.08 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 125.18 1.372 . . . . 0.0 115.429 -176.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -63.47 114.99 4.23 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.182 1.793 . . . . 0.0 112.105 -176.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 10.5 t -141.34 178.47 7.4 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.318 1.847 . . . . 0.0 110.911 172.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -161.52 165.7 35.67 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.032 1.301 . . . . 0.0 113.634 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -87.63 159.11 50.24 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.391 1.476 . . . . 0.0 112.113 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.6 177.99 6.2 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.189 2.593 . . . . 0.0 112.803 170.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -76.6 46.55 0.45 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.024 1.729 . . . . 0.0 110.967 168.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 4.7 mt 66.02 -13.65 0.15 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 131.139 3.776 . . . . 0.0 117.043 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 22.0 t -53.6 -54.97 29.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.526 1.13 . . . . 0.0 113.348 -174.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 20.3 m -77.83 -13.17 59.97 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 73.4 mtm -84.45 136.07 34.0 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.218 1.007 . . . . 0.0 112.093 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 72.5 p -68.65 173.02 5.5 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.797 1.239 . . . . 0.0 111.674 169.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.7 -47.78 70.16 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.397 -0.815 . . . . 0.0 111.416 169.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.36 -40.02 95.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.586 0.754 . . . . 0.0 112.91 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -65.83 -44.46 85.47 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.513 -0.742 . . . . 0.0 112.101 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -62.04 -42.3 99.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.564 0.746 . . . . 0.0 112.147 174.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.62 -52.05 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.32 1.048 . . . . 0.0 110.764 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.8 76.46 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.898 1.227 . . . . 0.0 112.841 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -61.63 -49.16 77.69 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.605 -0.684 . . . . 0.0 111.439 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.19 76.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.137 0.975 . . . . 0.0 113.411 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 46.4 mtt -56.07 -59.8 4.39 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.126 1.37 . . . . 0.0 110.898 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -54.28 -40.92 68.31 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.55 0.74 . . . . 0.0 112.361 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 39.8 ttp -61.64 -48.76 79.38 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.671 0.669 . . . . 0.0 112.159 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 54.7 p -63.15 -40.13 96.68 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 172.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.89 -39.76 95.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.536 1.535 . . . . 0.0 112.591 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -65.6 -18.36 65.26 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.344 -0.847 . . . . 0.0 113.274 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -66.16 -19.1 67.82 Favored Glycine 0 CA--C 1.542 1.778 0 C-N-CA 124.072 0.844 . . . . 0.0 113.646 169.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -99.23 6.85 46.16 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.96 2.104 . . . . 0.0 113.325 170.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 95.11 1.08 0.05 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 131.299 3.84 . . . . 0.0 113.474 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -63.11 116.54 5.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -178.59 161.88 28.72 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.744 1.64 . . . . 0.0 112.305 169.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -80.73 75.57 7.64 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.268 1.027 . . . . 0.0 110.659 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.26 68.35 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.668 1.187 . . . . 0.0 113.928 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -151.12 168.08 25.74 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.992 1.717 . . . . 0.0 111.899 174.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 14.7 t -79.94 89.59 5.31 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.303 1.041 . . . . 0.0 110.829 172.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -143.84 177.3 8.62 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.911 1.684 . . . . 0.0 112.359 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.2 t70 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 127.019 2.128 . . . . 0.0 112.725 -179.618 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 121.574 0.702 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -85.99 76.44 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 125.045 1.338 . . . . 0.0 111.631 -172.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.26 131.78 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.109 1.363 . . . . 0.0 109.904 173.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.6 m -79.99 134.83 36.27 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.859 -0.526 . . . . 0.0 109.676 169.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.59 150.87 26.9 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.381 1.472 . . . . 0.0 110.938 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -138.84 133.74 32.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.698 1.599 . . . . 0.0 111.707 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 p -91.85 168.82 11.17 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.36 1.464 . . . . 0.0 112.467 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.4 mt -66.66 -23.96 66.22 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -78.8 8.25 5.76 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.526 1.53 . . . . 0.0 112.06 169.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 57.01 28.1 14.29 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.73 2.412 . . . . 0.0 114.118 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -89.28 151.59 22.03 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.403 1.081 . . . . 0.0 109.441 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.0 p -131.73 142.21 49.73 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.9 0.857 . . . . 0.0 113.032 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -144.46 -178.5 6.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.02 2.128 . . . . 0.0 110.331 -172.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.35 149.42 52.56 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.136 -0.978 . . . . 0.0 111.917 171.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mm -133.67 110.37 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.785 2.034 . . . . 0.0 108.968 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -77.7 93.86 4.34 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.422 0.63 . . . . 0.0 110.753 170.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.414 HD12 ' H ' ' A' ' 18' ' ' ASP . 5.3 tp -110.71 147.79 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.522 1.929 . . . . 0.0 111.346 -177.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' H ' HD12 ' A' ' 17' ' ' ILE . 21.6 t0 -76.77 116.21 54.83 Favored Pre-proline 0 CA--C 1.554 1.133 0 O-C-N 121.055 -1.028 . . . . 0.0 111.13 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.29 -13.29 25.56 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.294 2.663 . . . . 0.0 114.852 -173.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.85 -15.37 48.44 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.488 1.04 . . . . 0.0 112.64 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -77.48 173.86 11.5 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.375 1.084 . . . . 0.0 112.02 170.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 49.4 p -88.51 172.91 8.99 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 122.144 0.973 . . . . 0.0 113.331 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.5 t -57.51 -30.68 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.431 1.092 . . . . 0.0 111.788 174.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -59.07 -33.46 70.83 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.92 -1.113 . . . . 0.0 113.196 172.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.52 -38.48 71.09 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.011 0.823 . . . . 0.0 112.853 172.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.8 tp -54.18 -54.12 44.14 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.395 -1.44 . . . . 0.0 110.399 169.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -51.88 -42.78 62.93 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.107 1.363 . . . . 0.0 113.511 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -46.41 89.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.155 0.982 . . . . 0.0 112.553 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.52 -41.02 96.65 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.49 0.716 . . . . 0.0 111.907 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.64 -48.78 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.876 0.87 . . . . 0.0 110.819 174.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.46 -46.02 89.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.198 0.599 . . . . 0.0 111.542 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.1 t -58.26 -48.21 81.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.62 1.168 . . . . 0.0 112.532 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.79 -58.62 4.7 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.151 1.38 . . . . 0.0 112.832 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -81.84 -17.1 48.62 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.26 148.99 21.39 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 127.063 2.268 . . . . 0.0 112.863 -174.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -62.19 -27.79 69.22 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.571 1.148 . . . . 0.0 113.149 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -66.45 -35.02 79.25 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.496 1.118 . . . . 0.0 112.673 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.37 -49.8 6.15 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.512 1.125 . . . . 0.0 112.37 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -136.33 74.36 54.81 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.874 1.269 . . . . 0.0 111.618 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.44 142.93 50.74 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 122.58 2.186 . . . . 0.0 109.848 173.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.46 -44.08 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.721 -1.237 . . . . 0.0 111.39 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.25 -18.74 63.88 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.49 -22.41 5.8 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.867 1.698 . . . . 0.0 114.644 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -64.34 148.1 51.09 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.709 1.204 . . . . 0.0 113.135 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -134.64 145.63 48.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 127.637 2.375 . . . . 0.0 107.587 168.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.51 123.88 34.67 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 126.352 1.861 . . . . 0.0 110.091 -169.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mp -131.46 125.86 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.695 1.198 . . . . 0.0 110.39 -171.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -130.34 141.56 50.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.827 1.251 . . . . 0.0 111.306 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.56 27.18 1.38 Allowed 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.62 82.82 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.552 2.025 . . . . 0.0 116.072 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -121.7 138.49 54.33 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.134 1.467 . . . . 0.0 111.831 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -72.76 125.49 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.763 0.825 . . . . 0.0 109.896 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.9 mt -68.08 118.22 10.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.393 1.877 . . . . 0.0 110.726 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -68.52 127.07 31.66 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.893 0.877 . . . . 0.0 111.327 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -56.26 -41.01 75.11 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -170.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.87 -12.31 57.52 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.876 1.27 . . . . 0.0 113.76 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.4 m -82.29 148.1 28.53 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.92 1.288 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -77.12 156.82 31.39 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.736 1.014 . . . . 0.0 113.736 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.64 -31.15 71.65 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.34 -0.85 . . . . 0.0 112.75 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -47.61 -40.8 20.42 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.778 2.031 . . . . 0.0 113.2 170.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.99 -21.19 66.81 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.419 1.487 . . . . 0.0 114.095 -173.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -110.45 -1.0 17.25 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.913 1.685 . . . . 0.0 112.534 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 mptt 48.26 36.83 7.38 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.897 2.479 . . . . 0.0 113.686 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.25 133.68 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.432 1.493 . . . . 0.0 109.841 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.0 159.13 15.79 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.217 1.007 . . . . 0.0 111.458 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.14 -42.58 75.79 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.366 -0.834 . . . . 0.0 112.657 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -75.81 -33.93 60.13 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.905 1.282 . . . . 0.0 112.913 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -79.0 167.33 21.26 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.196 0.598 . . . . 0.0 110.962 172.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -114.19 144.31 43.41 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.59 155.77 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.935 1.694 . . . . 0.0 107.69 168.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.5 t -106.66 130.06 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.684 -0.635 . . . . 0.0 110.006 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.51 134.9 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.445 1.498 . . . . 0.0 110.242 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.5 ptm -133.24 167.16 20.87 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.993 1.317 . . . . 0.0 111.177 169.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.5 p -136.87 117.86 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 125.001 1.32 . . . . 0.0 109.276 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.2 p -72.15 152.3 42.39 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.483 -0.761 . . . . 0.0 111.838 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt 26.39 72.36 0.39 Allowed Pre-proline 0 N--CA 1.483 1.214 0 C-N-CA 128.361 2.664 . . . . 0.0 115.175 -173.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -55.67 163.38 5.43 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 124.087 3.191 . . . . 0.0 116.426 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -126.94 -0.61 6.59 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.824 2.05 . . . . 0.0 113.822 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.02 23.47 3.55 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.29 1.836 . . . . 0.0 114.232 -170.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -66.27 164.99 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.0 1.32 . . . . 0.0 112.726 172.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.7 m -67.55 -12.45 60.41 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.09 1.756 . . . . 0.0 115.437 -172.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.5 p -126.47 166.03 24.46 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 127.999 2.52 . . . . 0.0 110.238 174.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -46.35 111.37 0.35 Allowed 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.798 2.999 . . . . 0.0 113.291 171.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.76 160.03 39.6 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.178 1.391 . . . . 0.0 111.871 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -64.11 -17.95 61.69 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.03 1.82 . . . . 0.0 114.4 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.41 -14.65 61.75 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.9 2.08 . . . . 0.0 114.525 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.5 p -128.47 -31.21 2.28 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.136 1.374 . . . . 0.0 113.748 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.41 -23.86 64.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.122 1.769 . . . . 0.0 112.826 172.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.45 -17.92 47.84 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 170.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -112.03 -54.59 2.6 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.314 1.845 . . . . 0.0 110.778 170.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -80.38 50.69 1.31 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.074 1.749 . . . . 0.0 112.368 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -63.04 -18.96 63.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.48 1.512 . . . . 0.0 114.04 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -67.21 -14.88 63.32 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.427 1.491 . . . . 0.0 114.281 172.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 64.37 -6.45 0.28 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 127.865 2.466 . . . . 0.0 115.917 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 73.6 m80 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.546 1.938 . . . . 0.0 112.382 -172.662 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 32.4 m -77.82 70.59 4.21 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.322 1.449 . . . . 0.0 112.097 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -63.4 -19.32 64.57 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -171.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -75.73 -47.01 27.87 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.52 1.128 . . . . 0.0 111.633 170.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 8.2 m -74.04 -36.91 64.44 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.08 1.752 . . . . 0.0 113.332 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 9.4 tp -63.09 162.28 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 125.013 1.325 . . . . 0.0 112.757 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 47.1 m -54.59 113.04 1.15 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.559 1.544 . . . . 0.0 112.453 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -75.54 -10.61 59.6 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -140.06 174.54 10.42 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.075 1.35 . . . . 0.0 113.215 177.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -98.58 173.05 7.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.045 1.738 . . . . 0.0 111.894 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -75.98 -178.32 4.3 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.238 1.415 . . . . 0.0 112.58 171.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -71.75 53.11 1.26 Allowed Glycine 0 CA--C 1.539 1.556 0 C-N-CA 126.521 2.01 . . . . 0.0 115.884 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -62.18 -21.54 65.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.738 2.015 . . . . 0.0 114.309 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 21.4 p -75.04 -6.68 50.74 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.685 1.994 . . . . 0.0 114.998 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -66.77 170.35 32.62 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 124.649 1.118 . . . . 0.0 115.578 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.6 140.72 96.92 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.518 1.527 . . . . 0.0 111.357 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -59.59 162.93 14.01 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.106 2.537 . . . . 0.0 114.689 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -81.51 51.13 1.6 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.913 1.285 . . . . 0.0 109.376 168.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 12.9 mt 69.37 -4.73 1.26 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.925 2.89 . . . . 0.0 114.78 -169.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 2.9 m -53.79 -51.95 61.84 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.316 1.846 . . . . 0.0 115.15 -169.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 19.2 m -100.12 -4.56 29.45 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.825 1.25 . . . . 0.0 113.903 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 73.9 mtm -84.91 129.35 34.82 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.032 1.333 . . . . 0.0 111.71 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 72.5 p -65.06 169.09 5.74 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.319 1.047 . . . . 0.0 111.812 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -53.34 -44.52 68.55 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.919 -1.113 . . . . 0.0 112.406 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.09 -39.41 93.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.137 0.975 . . . . 0.0 113.058 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -67.63 -42.67 81.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.293 -0.879 . . . . 0.0 112.334 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -60.74 -43.2 98.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.914 0.886 . . . . 0.0 111.421 173.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 48.9 mt -57.6 -52.65 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.498 1.119 . . . . 0.0 111.421 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.86 -33.08 73.54 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.705 1.139 . . . . 0.0 113.513 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -61.98 -48.87 78.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.596 1.159 . . . . 0.0 111.266 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.6 -44.17 76.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.931 0.892 . . . . 0.0 113.202 171.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 49.2 mtt -56.78 -56.36 22.55 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.899 1.28 . . . . 0.0 111.814 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -54.85 -40.33 69.52 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.727 0.811 . . . . 0.0 112.693 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.9 -54.04 47.4 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.917 0.78 . . . . 0.0 111.965 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 79.5 p -63.84 -34.32 77.66 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 65.4 tp -63.13 -36.87 85.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.418 1.887 . . . . 0.0 112.361 173.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -69.64 -36.77 76.39 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.33 0.652 . . . . 0.0 112.034 171.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.64 -36.06 90.76 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 123.512 0.577 . . . . 0.0 112.769 169.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -73.02 -73.15 0.21 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.091 1.756 . . . . 0.0 113.532 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -147.09 -9.36 0.45 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -170.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -80.87 -3.24 50.61 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 172.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -62.14 95.08 0.11 Allowed Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.412 1.958 . . . . 0.0 113.491 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -63.4 176.78 0.75 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.296 1.838 . . . . 0.0 114.68 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . 54.6 -153.92 0.29 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.17 1.788 . . . . 0.0 112.987 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.86 108.04 1.37 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.582 1.153 . . . . 0.0 111.939 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 16.5 m -65.2 163.03 15.97 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.566 1.547 . . . . 0.0 113.982 -177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -65.08 -20.72 66.61 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 127.376 2.27 . . . . 0.0 112.324 177.045 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ptm . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.762 0.315 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -87.59 80.35 8.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.138 0.975 . . . . 0.0 111.137 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.11 123.82 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.981 0.912 . . . . 0.0 109.279 173.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.3 m -79.32 139.41 37.82 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.042 0.448 . . . . 0.0 109.844 170.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.6 mt -116.47 153.99 31.16 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 125.615 1.566 . . . . 0.0 111.382 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -133.79 130.6 38.22 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 126.065 1.746 . . . . 0.0 109.986 169.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 p -87.28 169.11 12.59 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.823 1.249 . . . . 0.0 111.667 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -70.22 -18.68 63.17 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.047 -1.033 . . . . 0.0 113.42 171.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -81.92 5.24 19.66 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.263 1.425 . . . . 0.0 111.756 169.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 58.97 28.88 18.23 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.989 2.516 . . . . 0.0 114.454 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -86.36 153.6 21.82 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.881 0.872 . . . . 0.0 108.976 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 p -133.55 140.71 47.34 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.514 -0.741 . . . . 0.0 112.711 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -144.78 171.56 14.24 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.568 1.947 . . . . 0.0 110.789 -172.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -125.6 143.34 51.06 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.553 1.141 . . . . 0.0 111.408 169.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mm -130.66 111.62 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.551 1.94 . . . . 0.0 109.245 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -73.59 97.44 2.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.299 0.64 . . . . 0.0 111.008 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.481 HD12 ' H ' ' A' ' 18' ' ' ASP . 6.2 tp -109.8 147.07 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 126.388 1.875 . . . . 0.0 112.126 -175.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.481 ' H ' HD12 ' A' ' 17' ' ' ILE . 12.0 m-20 -78.01 111.48 18.51 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.172 1.789 . . . . 0.0 111.182 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.4 -21.55 35.02 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.131 2.554 . . . . 0.0 114.025 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.77 -16.66 61.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.809 1.244 . . . . 0.0 112.889 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -86.35 179.0 6.97 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.84 1.256 . . . . 0.0 111.705 170.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 47.8 p -94.43 176.32 6.34 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -59.79 -33.46 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 121.061 -1.024 . . . . 0.0 111.496 171.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.85 -31.86 70.15 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.159 -0.963 . . . . 0.0 112.397 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.76 -35.38 65.0 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -55.19 -54.06 48.09 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.675 -1.266 . . . . 0.0 109.499 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -50.67 -44.91 57.85 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.335 1.454 . . . . 0.0 113.735 169.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -41.59 99.0 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.99 1.268 . . . . 0.0 113.173 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -65.51 -39.88 92.36 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.695 1.198 . . . . 0.0 111.876 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.1 -49.83 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.392 1.077 . . . . 0.0 110.722 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.94 -42.57 85.18 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.095 0.861 . . . . 0.0 111.61 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -61.25 -44.28 97.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.513 1.525 . . . . 0.0 112.855 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.01 -57.66 3.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.603 1.161 . . . . 0.0 112.74 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -80.44 -18.46 48.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.706 1.603 . . . . 0.0 113.923 -171.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.52 134.26 5.73 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 126.527 2.013 . . . . 0.0 113.555 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -56.18 -22.0 26.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.914 2.486 . . . . 0.0 114.619 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.5 -29.85 69.34 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.865 1.266 . . . . 0.0 113.386 171.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.99 -36.3 3.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.107 1.363 . . . . 0.0 113.18 -173.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -134.5 68.72 72.79 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.65 1.58 . . . . 0.0 111.59 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.57 144.93 51.08 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.561 2.174 . . . . 0.0 110.676 174.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.4 t -52.22 -43.71 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.648 1.179 . . . . 0.0 111.284 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.61 -15.0 62.31 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.63 -23.46 4.37 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.243 1.402 . . . . 0.0 114.911 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.61 144.86 56.69 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.855 1.328 . . . . 0.0 113.339 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -130.34 143.98 51.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.457 1.903 . . . . 0.0 108.315 168.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 123.49 38.4 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.305 1.842 . . . . 0.0 110.256 -169.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.85 128.89 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.752 1.221 . . . . 0.0 111.007 -170.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -131.67 140.99 49.48 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.676 1.19 . . . . 0.0 111.482 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.79 33.08 4.05 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.21 18.2 79.74 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 126.608 2.051 . . . . 0.0 115.525 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -128.65 129.88 46.46 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.388 1.875 . . . . 0.0 110.761 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -67.81 126.11 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 121.429 0.633 . . . . 0.0 110.339 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.7 mt -67.21 119.64 12.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.118 1.767 . . . . 0.0 110.248 175.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -68.88 126.17 28.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.578 0.751 . . . . 0.0 111.259 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.64 -49.42 65.2 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.842 1.657 . . . . 0.0 113.965 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.98 -13.5 60.24 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.237 1.415 . . . . 0.0 113.909 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.0 m -81.68 146.51 29.99 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.23 . . . . 0.0 110.795 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.59 158.26 31.28 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.84 -29.59 66.89 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.098 -1.001 . . . . 0.0 113.205 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.11 -21.27 61.33 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.173 1.389 . . . . 0.0 113.935 173.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -73.01 -14.59 61.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.053 1.341 . . . . 0.0 113.673 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -119.24 -4.05 10.52 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.309 1.443 . . . . 0.0 113.297 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 46.92 37.12 4.55 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.876 2.47 . . . . 0.0 114.166 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.3 mt -59.5 141.26 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.686 1.594 . . . . 0.0 110.31 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -103.66 163.81 12.08 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.237 1.415 . . . . 0.0 111.978 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -85.25 -39.52 17.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.394 1.078 . . . . 0.0 112.908 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -76.2 -39.33 54.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.717 1.607 . . . . 0.0 111.969 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -76.31 164.46 26.01 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.859 1.264 . . . . 0.0 110.589 171.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -116.36 147.87 41.17 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -175.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.99 165.17 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 127.866 2.467 . . . . 0.0 107.97 169.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.8 t -111.81 126.81 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.161 -0.962 . . . . 0.0 111.026 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.63 136.69 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.389 1.476 . . . . 0.0 109.726 171.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -137.76 169.96 16.89 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.037 1.335 . . . . 0.0 111.153 170.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.17 129.4 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.642 1.177 . . . . 0.0 109.686 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.8 p -112.23 158.34 19.82 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -169.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -126.94 94.87 38.46 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 127.396 2.278 . . . . 0.0 108.775 169.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -53.92 166.42 1.49 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 124.551 3.501 . . . . 0.0 116.041 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -67.74 -1.25 5.02 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.323 1.849 . . . . 0.0 114.855 171.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.1 172.92 12.21 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.837 2.055 . . . . 0.0 112.322 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -69.83 18.35 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 127.736 2.415 . . . . 0.0 115.101 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -62.78 -33.21 74.71 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.258 1.823 . . . . 0.0 114.794 -173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 p -74.78 160.95 79.68 Favored Pre-proline 0 N--CA 1.48 1.072 0 C-N-CA 124.711 1.205 . . . . 0.0 113.001 175.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -52.98 150.66 22.89 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.898 3.065 . . . . 0.0 115.501 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.96 165.56 46.2 Favored Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 125.512 1.525 . . . . 0.0 113.041 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.12 153.62 20.66 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.954 3.103 . . . . 0.0 114.613 173.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.98 -16.94 60.61 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.5 t -149.57 -179.78 7.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.631 1.572 . . . . 0.0 112.015 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.4 161.65 13.82 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.618 1.567 . . . . 0.0 114.331 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.57 -24.31 65.32 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -175.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -59.35 -27.13 65.66 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.844 1.258 . . . . 0.0 113.278 177.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -68.21 -28.25 67.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.481 1.113 . . . . 0.0 113.253 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -81.15 68.97 7.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.307 1.443 . . . . 0.0 110.882 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -58.79 -46.12 88.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.655 1.582 . . . . 0.0 113.289 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -151.07 173.68 14.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.418 1.887 . . . . 0.0 111.783 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.573 1.549 . . . . 0.0 112.137 -177.025 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 37.0 m -64.86 164.88 11.6 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.199 1.4 . . . . 0.0 113.478 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -66.17 167.68 9.74 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.632 1.173 . . . . 0.0 113.254 171.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 16.2 tpt -62.11 -37.39 84.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.43 1.492 . . . . 0.0 114.259 -171.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 5.9 m 47.82 63.59 1.96 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.465 1.906 . . . . 0.0 112.794 -178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 47.6 pt -63.59 155.28 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.876 0.871 . . . . 0.0 112.415 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 55.6 p -69.81 -19.85 63.47 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -59.71 -28.15 67.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.878 1.271 . . . . 0.0 114.38 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -3.8 54.92 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -75.96 -38.61 57.33 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.343 -0.848 . . . . 0.0 112.786 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 59.41 -55.43 0.06 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 129.174 2.989 . . . . 0.0 115.497 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 75.36 -46.59 1.92 Allowed Glycine 0 CA--C 1.537 1.456 0 C-N-CA 127.083 2.277 . . . . 0.0 115.65 172.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -71.85 -27.67 63.04 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.757 1.623 . . . . 0.0 113.312 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 12.0 t -66.71 156.94 33.97 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.479 1.112 . . . . 0.0 112.529 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 69.97 10.73 65.47 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.77 132.38 91.6 Favored Pre-proline 0 CA--C 1.554 1.097 0 CA-C-N 119.05 1.425 . . . . 0.0 111.679 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.46 164.29 13.43 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.587 2.858 . . . . 0.0 115.328 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -84.22 54.81 3.09 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.816 1.246 . . . . 0.0 108.054 168.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.2 mp 62.58 -0.81 0.5 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 129.024 2.93 . . . . 0.0 115.213 -169.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 6.2 m -53.65 -56.66 15.28 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.214 1.806 . . . . 0.0 114.187 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 18.7 m -100.43 -8.29 23.39 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 50.6 mtm -70.19 124.94 25.36 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 56.5 m -63.79 161.25 15.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.09 1.356 . . . . 0.0 110.508 169.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -50.85 -44.79 59.59 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.935 -1.103 . . . . 0.0 112.843 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.06 -35.65 79.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.128 0.971 . . . . 0.0 113.243 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -73.4 -42.4 62.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.221 1.008 . . . . 0.0 111.406 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.36 -43.37 92.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.061 0.944 . . . . 0.0 111.647 171.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 53.3 mt -58.36 -53.63 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.67 1.188 . . . . 0.0 110.94 171.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.88 75.87 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 120.115 1.325 . . . . 0.0 113.413 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -61.55 -45.93 92.06 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.461 1.104 . . . . 0.0 111.668 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.84 81.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.897 0.879 . . . . 0.0 112.851 171.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 44.5 mtt -55.59 -52.04 65.11 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.269 1.428 . . . . 0.0 111.61 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -55.66 -45.53 77.68 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.62 0.768 . . . . 0.0 112.624 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.8 mtm -64.37 -44.1 92.45 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.863 0.756 . . . . 0.0 112.202 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 36.5 p -66.49 -27.88 68.13 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.03 -42.04 97.23 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.662 1.185 . . . . 0.0 111.441 171.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -68.93 -40.9 78.76 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.178 0.591 . . . . 0.0 111.915 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.65 -29.82 70.79 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.434 1.016 . . . . 0.0 114.011 173.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -73.45 -73.72 0.2 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.814 1.646 . . . . 0.0 111.979 170.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -157.44 1.33 0.12 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -171.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 65.63 -59.96 0.28 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 128.146 2.579 . . . . 0.0 113.412 -169.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -65.76 -10.44 50.25 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 126.094 1.807 . . . . 0.0 116.615 -170.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.59 -21.51 63.59 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.216 1.508 . . . . 0.0 113.08 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.5 104.31 0.21 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.752 1.621 . . . . 0.0 112.439 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 63.42 -44.4 0.23 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 129.31 3.044 . . . . 0.0 115.573 -175.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 6.3 t -62.0 -16.08 48.83 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.0 1.72 . . . . 0.0 114.681 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -69.22 -14.11 62.78 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.537 1.535 . . . . 0.0 114.322 177.633 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptm . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.646 0.26 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -86.81 88.24 7.64 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.142 0.977 . . . . 0.0 110.585 -176.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.1 t -68.51 121.14 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.303 1.041 . . . . 0.0 109.067 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.5 m -79.15 141.42 37.26 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 170.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.1 mt -119.5 151.78 38.03 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.803 1.641 . . . . 0.0 111.501 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -132.18 125.35 30.98 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.03 1.732 . . . . 0.0 110.522 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 p -82.94 164.65 20.3 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.289 1.436 . . . . 0.0 111.401 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.7 mt -70.71 -21.11 62.6 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.19 -0.944 . . . . 0.0 113.319 172.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -76.15 6.07 5.92 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.256 1.422 . . . . 0.0 112.113 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 65.28 22.86 12.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.934 2.493 . . . . 0.0 113.826 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -89.08 157.11 18.44 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.355 1.062 . . . . 0.0 109.745 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.0 p -133.88 144.57 48.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.741 0.782 . . . . 0.0 112.271 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -146.2 178.0 8.56 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 127.044 2.138 . . . . 0.0 110.282 -172.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -134.08 153.08 52.03 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.088 -1.008 . . . . 0.0 111.853 169.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mm -136.94 114.86 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 126.51 1.924 . . . . 0.0 109.506 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -75.66 109.42 9.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 122.605 0.362 . . . . 0.0 110.509 169.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.415 HD13 ' H ' ' A' ' 18' ' ' ASP . 6.0 tp -126.8 151.9 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 127.027 2.131 . . . . 0.0 111.49 -173.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.415 ' H ' HD13 ' A' ' 17' ' ' ILE . 19.5 t0 -84.14 121.17 75.48 Favored Pre-proline 0 CA--C 1.555 1.136 0 O-C-N 121.098 -1.001 . . . . 0.0 111.683 176.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.78 -18.81 31.96 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.29 2.66 . . . . 0.0 115.277 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.27 -20.88 56.95 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.243 0.929 . . . . 0.0 111.943 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.28 178.77 8.06 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.707 1.203 . . . . 0.0 111.825 169.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 42.1 p -101.18 176.22 5.33 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -169.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.01 -34.18 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.698 0.799 . . . . 0.0 111.059 170.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.65 -31.82 71.95 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.14 -0.975 . . . . 0.0 112.754 171.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.82 64.58 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.506 1.048 . . . . 0.0 112.894 171.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 tp -54.74 -52.72 61.62 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.69 -1.256 . . . . 0.0 109.78 169.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -51.07 -45.54 61.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.768 1.227 . . . . 0.0 113.379 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -43.17 93.05 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.776 1.171 . . . . 0.0 112.505 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -65.51 -43.02 91.41 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.608 0.763 . . . . 0.0 112.885 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.93 -48.68 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.447 0.699 . . . . 0.0 110.401 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -46.36 88.87 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.512 1.125 . . . . 0.0 111.507 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 t -56.75 -46.71 81.23 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.885 1.674 . . . . 0.0 112.575 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.98 -56.56 4.8 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.19 1.396 . . . . 0.0 112.647 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -85.82 -17.51 35.51 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.828 1.251 . . . . 0.0 114.046 -170.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.96 149.35 23.98 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 127.16 2.314 . . . . 0.0 113.457 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -63.04 -25.68 68.49 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.939 1.295 . . . . 0.0 113.165 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -65.68 -28.84 69.37 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.57 1.148 . . . . 0.0 112.932 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.6 -48.16 4.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.901 1.28 . . . . 0.0 112.234 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.97 73.27 46.14 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.304 1.442 . . . . 0.0 111.832 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -71.77 147.49 50.55 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.666 2.244 . . . . 0.0 110.731 173.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.1 t -53.94 -47.27 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 C-N-CA 124.883 1.273 . . . . 0.0 112.765 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.9 76.74 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.21 -36.89 26.23 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.681 1.134 . . . . 0.0 113.145 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -55.14 151.8 8.8 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.238 1.015 . . . . 0.0 113.259 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -140.93 151.54 44.3 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.927 2.491 . . . . 0.0 107.415 168.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.19 121.12 22.07 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.716 1.606 . . . . 0.0 110.006 -169.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.64 123.21 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.821 1.248 . . . . 0.0 110.844 -169.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -132.38 147.73 52.39 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.97 1.308 . . . . 0.0 111.613 173.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.63 24.39 1.65 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.796 1.239 . . . . 0.0 114.284 -174.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.97 18.12 79.58 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.932 1.729 . . . . 0.0 115.695 -173.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -126.08 137.8 53.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.365 1.866 . . . . 0.0 111.229 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -71.12 126.54 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.458 0.703 . . . . 0.0 110.758 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.38 133.73 45.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.804 1.642 . . . . 0.0 111.045 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -73.88 124.42 26.1 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.805 0.842 . . . . 0.0 111.973 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.51 -46.32 27.31 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.833 1.653 . . . . 0.0 113.971 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.46 -12.31 52.21 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.397 1.479 . . . . 0.0 114.476 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.1 m -83.2 141.62 31.78 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.858 -1.151 . . . . 0.0 110.726 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.94 150.79 40.61 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.92 -34.64 78.43 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.296 -0.877 . . . . 0.0 112.965 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -55.23 -25.1 31.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.451 1.5 . . . . 0.0 114.619 172.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.87 -20.66 61.77 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.512 1.125 . . . . 0.0 113.082 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -105.89 -6.28 19.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.006 1.723 . . . . 0.0 112.929 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.62 43.48 4.76 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.144 2.578 . . . . 0.0 114.137 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.5 mt -58.25 140.65 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.78 1.632 . . . . 0.0 109.156 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -115.69 141.81 47.58 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.396 1.078 . . . . 0.0 111.936 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.44 -25.52 67.27 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.123 0.969 . . . . 0.0 112.522 175.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -66.4 -21.61 66.22 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.307 2.243 . . . . 0.0 114.254 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -118.56 176.74 5.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.941 1.697 . . . . 0.0 111.225 -174.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -115.98 150.99 36.29 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.98 0.912 . . . . 0.0 112.618 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.76 163.05 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 127.15 2.18 . . . . 0.0 108.709 169.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.3 t -107.34 123.56 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.606 -0.684 . . . . 0.0 110.271 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.19 139.5 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.341 1.456 . . . . 0.0 109.656 172.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.8 ptm -139.75 167.85 21.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.398 1.079 . . . . 0.0 111.096 169.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 p -134.58 103.56 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.424 1.09 . . . . 0.0 110.498 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.4 p -71.66 140.11 49.53 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.756 0.822 . . . . 0.0 110.567 174.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -64.94 125.98 90.21 Favored Pre-proline 0 N--CA 1.475 0.775 0 C-N-CA 124.316 1.046 . . . . 0.0 111.593 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -53.08 161.86 3.16 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.425 2.75 . . . . 0.0 114.619 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -83.78 5.7 23.96 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 93.82 0.2 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.626 1.571 . . . . 0.0 111.976 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.31 -174.36 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 126.366 1.866 . . . . 0.0 112.075 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 64.1 p -67.29 11.61 0.11 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 128.08 2.552 . . . . 0.0 116.419 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 p -58.03 158.76 12.31 Favored Pre-proline 0 N--CA 1.48 1.041 0 C-N-CA 125.881 1.672 . . . . 0.0 114.084 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -48.98 130.08 22.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.729 3.619 . . . . 0.0 115.87 -175.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.26 3.05 Favored Pre-proline 0 CA--C 1.558 1.268 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -55.27 166.3 2.48 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.757 2.971 . . . . 0.0 116.694 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.15 -21.51 23.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.25 1.82 . . . . 0.0 115.48 -172.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.7 m -52.79 -32.56 44.53 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.331 1.852 . . . . 0.0 113.511 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -111.84 -13.8 13.63 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.068 1.347 . . . . 0.0 114.079 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.0 -25.71 66.44 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.823 -1.173 . . . . 0.0 112.935 172.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -80.15 -5.5 56.13 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.161 1.384 . . . . 0.0 114.174 174.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -70.37 172.49 8.23 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.147 0.979 . . . . 0.0 112.804 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -52.61 132.61 35.9 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.931 1.692 . . . . 0.0 112.811 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -74.81 -10.9 59.95 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.7 t60 42.43 66.94 0.66 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.33 2.252 . . . . 0.0 114.055 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 75.4 t60 . . . . . 0 C--O 1.254 1.293 0 C-N-CA 126.06 1.744 . . . . 0.0 112.018 -178.496 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 70.5 p -67.55 170.24 7.93 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.124 1.37 . . . . 0.0 113.395 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -129.34 169.25 15.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.965 1.706 . . . . 0.0 111.336 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -66.48 164.41 16.47 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.808 1.243 . . . . 0.0 113.059 173.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 35.3 p -72.04 163.64 27.53 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.789 1.236 . . . . 0.0 112.546 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 10.0 tp -134.36 -8.51 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.436 1.495 . . . . 0.0 113.677 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 20.3 m -57.29 103.56 0.13 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.806 2.443 . . . . 0.0 113.593 -173.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -132.49 -17.3 2.6 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -173.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 55.04 -15.01 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 129.912 3.285 . . . . 0.0 118.483 175.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.53 -18.58 62.3 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.277 -1.514 . . . . 0.0 114.801 -176.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -66.09 -13.43 60.05 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.359 1.464 . . . . 0.0 113.972 169.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -61.61 -11.27 28.23 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.929 1.728 . . . . 0.0 115.885 -177.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -6.22 15.86 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.572 1.549 . . . . 0.0 114.854 169.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 6.2 t -66.69 172.13 4.54 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.257 1.423 . . . . 0.0 112.937 174.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 178.52 168.52 37.95 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.526 1.536 . . . . 0.0 113.156 175.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.47 120.61 79.72 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.016 1.326 . . . . 0.0 110.386 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -59.72 168.45 5.5 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.265 2.643 . . . . 0.0 113.876 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -81.67 53.86 2.24 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 122.485 1.136 . . . . 0.0 108.862 168.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.6 mp 61.15 4.19 0.83 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 129.621 3.168 . . . . 0.0 115.666 -169.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 5.8 m -49.39 -60.55 2.74 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.458 1.903 . . . . 0.0 114.659 -170.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 69.8 p -100.67 -9.19 22.11 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 55.2 mtm -64.82 127.72 32.77 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -172.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 43.5 p -66.03 174.07 2.71 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.24 1.016 . . . . 0.0 112.071 169.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.25 -44.21 75.31 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.886 -1.134 . . . . 0.0 112.431 173.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.7 -40.54 88.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.502 0.721 . . . . 0.0 112.344 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -67.78 -40.07 84.0 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.469 -0.769 . . . . 0.0 112.276 175.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -59.69 -45.36 92.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.557 1.143 . . . . 0.0 111.713 171.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 46.5 mt -57.42 -51.89 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.894 0.877 . . . . 0.0 111.004 171.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.08 -34.41 76.24 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.913 -1.117 . . . . 0.0 113.491 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -62.94 -43.15 99.59 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.112 -0.993 . . . . 0.0 111.937 170.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.22 84.99 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.822 0.849 . . . . 0.0 112.306 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 47.8 mtt -57.66 -44.4 85.68 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.598 1.159 . . . . 0.0 112.115 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -62.14 -47.12 85.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.042 0.837 . . . . 0.0 112.724 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 62.2 mtm -61.53 -40.22 93.87 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.832 0.742 . . . . 0.0 112.014 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 21.7 t -59.34 -46.96 87.18 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.826 1.25 . . . . 0.0 112.826 171.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 51.4 mt -59.28 -35.46 73.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.85 1.26 . . . . 0.0 112.677 171.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -70.2 -30.51 67.63 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.367 -0.833 . . . . 0.0 112.894 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -72.48 -14.37 77.38 Favored Glycine 0 CA--C 1.54 1.608 0 O-C-N 121.643 -0.661 . . . . 0.0 113.597 169.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -100.49 -71.07 0.72 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.69 1.996 . . . . 0.0 113.455 -177.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -136.6 3.27 2.75 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.75 1.62 . . . . 0.0 114.834 -169.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 65.19 0.83 1.38 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -86.12 179.92 49.71 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.893 1.235 . . . . 0.0 113.681 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -92.85 178.67 5.7 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.816 1.246 . . . . 0.0 110.908 169.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -56.88 -38.14 72.35 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.869 -1.145 . . . . 0.0 112.998 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -71.71 -15.7 62.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.566 1.147 . . . . 0.0 114.081 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 15.9 m -78.5 -13.88 59.62 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.628 1.171 . . . . 0.0 113.711 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -64.04 149.65 47.04 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.41 1.084 . . . . 0.0 112.982 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.755 1.622 . . . . 0.0 113.915 178.793 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ptm . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -94.96 74.14 3.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.353 1.061 . . . . 0.0 111.148 -170.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.31 134.25 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.537 1.535 . . . . 0.0 109.691 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 m -79.86 131.22 35.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 169.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.34 148.37 26.46 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 126.408 1.883 . . . . 0.0 110.207 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -138.18 124.71 20.76 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.507 1.523 . . . . 0.0 111.167 173.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -81.94 168.32 18.01 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.316 1.046 . . . . 0.0 111.859 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -68.44 -21.82 64.63 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.022 -1.049 . . . . 0.0 113.541 170.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -77.35 5.06 9.37 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.743 1.217 . . . . 0.0 111.783 169.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 63.75 26.23 14.39 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.265 2.626 . . . . 0.0 113.861 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -89.12 144.1 26.37 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.442 1.097 . . . . 0.0 109.933 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.7 p -132.63 136.41 46.48 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 122.139 0.971 . . . . 0.0 113.432 -171.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -150.63 177.87 9.63 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 128.082 2.553 . . . . 0.0 109.884 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -108.59 155.33 20.79 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.102 -0.999 . . . . 0.0 113.396 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.5 mm -128.48 112.03 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 127.263 2.225 . . . . 0.0 108.588 171.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -76.53 105.58 7.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.937 0.495 . . . . 0.0 110.323 169.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.45 HD13 ' H ' ' A' ' 18' ' ' ASP . 6.3 tp -124.11 153.37 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 126.231 1.812 . . . . 0.0 111.623 -174.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.45 ' H ' HD13 ' A' ' 17' ' ' ILE . 9.8 t70 -85.23 124.8 71.51 Favored Pre-proline 0 CA--C 1.555 1.16 0 O-C-N 121.078 -1.014 . . . . 0.0 111.872 175.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.26 -22.01 26.09 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.38 2.72 . . . . 0.0 115.51 -175.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -79.99 -21.01 44.16 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.242 0.928 . . . . 0.0 111.855 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -74.91 170.59 15.65 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.21 1.005 . . . . 0.0 110.783 169.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 32.9 p -92.84 175.61 6.74 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 122.285 1.041 . . . . 0.0 113.58 -173.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.2 t -58.99 -30.78 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.793 0.837 . . . . 0.0 111.565 173.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -60.1 -32.27 70.82 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.072 -1.017 . . . . 0.0 112.811 170.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.59 -36.06 62.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.181 0.9 . . . . 0.0 112.826 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.24 -54.14 47.22 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.675 -1.266 . . . . 0.0 109.526 169.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -50.18 -45.87 53.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.856 1.262 . . . . 0.0 113.547 169.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -44.07 93.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.738 1.154 . . . . 0.0 112.757 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -69.9 -36.14 75.18 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.436 0.694 . . . . 0.0 112.404 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.52 -50.95 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.908 0.883 . . . . 0.0 110.569 169.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.85 -41.02 85.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.546 0.738 . . . . 0.0 111.419 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.5 m -62.91 -44.41 96.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.605 1.162 . . . . 0.0 112.834 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.34 -54.02 12.21 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.8 1.24 . . . . 0.0 112.42 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -89.98 -16.16 30.44 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.43 1.492 . . . . 0.0 114.085 -170.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.89 154.49 21.8 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.046 2.26 . . . . 0.0 113.221 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -60.84 -26.58 67.45 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.061 0.944 . . . . 0.0 113.083 173.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -60.88 -36.69 79.88 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.736 1.214 . . . . 0.0 112.447 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.24 -52.3 4.88 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.642 1.177 . . . . 0.0 112.086 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -141.13 78.62 18.89 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.908 1.283 . . . . 0.0 112.532 -169.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.39 139.73 29.27 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.044 2.496 . . . . 0.0 110.191 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.7 t -50.64 -47.44 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.705 -1.247 . . . . 0.0 112.469 -176.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -25.22 67.74 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.69 -28.3 9.01 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.052 1.311 . . . . 0.0 113.937 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -58.31 156.18 10.44 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.863 1.265 . . . . 0.0 113.287 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -141.02 148.62 40.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.913 2.485 . . . . 0.0 107.294 167.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.23 120.81 25.05 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 126.231 1.813 . . . . 0.0 109.416 -169.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.69 127.95 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.719 1.208 . . . . 0.0 110.797 -169.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -133.67 143.1 48.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.215 1.406 . . . . 0.0 111.07 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.58 29.68 3.15 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.0 13.97 82.81 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 126.791 2.139 . . . . 0.0 115.833 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -128.57 136.28 50.51 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.161 1.784 . . . . 0.0 111.715 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -70.47 129.45 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.488 0.715 . . . . 0.0 110.808 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.2 mt -73.59 128.03 34.37 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.111 1.765 . . . . 0.0 111.016 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -69.88 122.87 20.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.119 0.968 . . . . 0.0 111.713 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -47.75 -41.3 22.78 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.066 1.746 . . . . 0.0 114.574 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.25 -14.63 35.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.363 1.465 . . . . 0.0 113.891 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.9 m -84.47 145.56 28.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.328 1.051 . . . . 0.0 110.79 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.71 154.91 36.14 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.24 -33.06 74.9 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.356 -0.84 . . . . 0.0 113.043 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -51.77 -34.58 40.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.562 1.545 . . . . 0.0 113.059 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.02 -16.58 64.1 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.439 1.496 . . . . 0.0 113.879 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -109.22 -4.01 16.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.986 1.715 . . . . 0.0 112.948 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 48.58 36.16 7.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.54 2.336 . . . . 0.0 114.087 177.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.23 136.22 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.487 1.515 . . . . 0.0 110.152 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -100.6 156.46 17.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.242 1.017 . . . . 0.0 112.141 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -81.42 -24.9 36.59 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.872 0.869 . . . . 0.0 113.25 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -84.02 -37.67 21.88 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.699 1.6 . . . . 0.0 112.08 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -74.95 172.18 12.74 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.384 1.074 . . . . 0.0 111.526 172.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -117.54 150.3 39.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.459 1.104 . . . . 0.0 113.367 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.12 155.35 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 127.251 2.22 . . . . 0.0 108.234 169.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.9 t -105.96 131.33 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.71 -0.619 . . . . 0.0 110.048 174.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -116.95 138.35 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.38 1.472 . . . . 0.0 110.343 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -140.34 171.15 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.497 1.519 . . . . 0.0 111.09 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p -129.77 121.93 53.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.329 1.452 . . . . 0.0 108.867 172.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 p -73.42 147.79 43.9 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 121.357 -0.84 . . . . 0.0 112.607 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -63.95 130.72 94.65 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.707 1.203 . . . . 0.0 112.417 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -57.25 167.03 3.76 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.465 2.777 . . . . 0.0 114.116 169.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -114.29 -0.01 14.01 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.792 1.637 . . . . 0.0 114.249 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.31 170.05 18.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.217 1.807 . . . . 0.0 111.855 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.7 m -64.84 -15.56 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 125.192 1.397 . . . . 0.0 114.558 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.6 m 59.15 17.23 5.43 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.73 2.012 . . . . 0.0 115.686 173.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.9 p -67.35 162.81 52.46 Favored Pre-proline 0 N--CA 1.477 0.906 0 C-N-CA 125.707 1.603 . . . . 0.0 112.783 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -54.02 145.44 52.6 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.749 2.966 . . . . 0.0 114.683 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.4 -33.42 4.67 Favored Pre-proline 0 CA--C 1.556 1.206 0 N-CA-C 117.09 2.256 . . . . 0.0 117.09 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -55.14 155.22 19.91 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 123.324 2.683 . . . . 0.0 115.756 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.1 -176.62 5.29 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.538 1.935 . . . . 0.0 111.823 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.1 t -63.16 -14.41 48.47 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.406 1.482 . . . . 0.0 114.532 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.0 tp 50.16 42.44 25.24 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.522 1.929 . . . . 0.0 113.022 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.86 5.78 1.92 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.796 2.438 . . . . 0.0 115.975 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -76.56 48.55 0.55 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.332 1.453 . . . . 0.0 112.943 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -61.67 -31.05 71.15 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.613 1.565 . . . . 0.0 114.055 -175.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 63.9 t60 61.5 -54.55 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 129.594 3.157 . . . . 0.0 116.351 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.44 130.02 42.66 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.642 1.577 . . . . 0.0 112.738 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.416 ' CG ' ' H ' ' A' ' 95' ' ' HIS . 4.5 t-80 56.13 -171.86 0.07 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.114 2.166 . . . . 0.0 114.694 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.416 ' H ' ' CG ' ' A' ' 94' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.205 0 C-N-CA 127.964 2.506 . . . . 0.0 111.729 172.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.528 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 49.0 m -73.59 174.23 8.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.258 1.423 . . . . 0.0 112.216 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -56.94 -32.28 65.84 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 120.917 -1.115 . . . . 0.0 113.098 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 47.5 tpp -69.63 -18.33 63.58 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.564 1.545 . . . . 0.0 113.969 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 9.7 m -77.51 71.33 3.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.336 1.454 . . . . 0.0 111.271 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 44.6 pt -68.27 163.94 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.589 1.555 . . . . 0.0 112.852 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 9.0 t -73.0 163.42 28.2 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.121 0.969 . . . . 0.0 112.757 175.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -133.91 13.83 3.97 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.672 2.389 . . . . 0.0 112.93 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -59.69 168.3 1.74 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.321 1.848 . . . . 0.0 115.083 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -131.78 162.74 29.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.583 1.953 . . . . 0.0 111.116 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -61.25 -23.61 65.77 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 115.486 1.662 . . . . 0.0 115.486 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 70.99 -65.26 0.9 Allowed Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.866 1.698 . . . . 0.0 114.849 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 59.9 -63.6 0.05 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 130.096 3.358 . . . . 0.0 114.55 -173.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 22.5 m 64.56 -60.75 0.21 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 128.877 2.871 . . . . 0.0 114.199 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -79.23 75.6 2.05 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.724 1.63 . . . . 0.0 112.778 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 17.0 tp -55.5 123.8 52.26 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 125.596 1.558 . . . . 0.0 111.308 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.2 164.46 34.19 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.159 2.573 . . . . 0.0 113.808 -172.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -80.6 50.01 1.26 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.449 1.5 . . . . 0.0 109.74 168.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.5 mt 66.06 -8.29 0.34 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.366 3.466 . . . . 0.0 116.023 -173.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 21.5 p -54.79 -58.77 6.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.384 1.874 . . . . 0.0 113.781 -176.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 49.6 m -91.24 0.07 57.59 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.358 1.463 . . . . 0.0 113.63 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 13.8 tpp -70.72 131.65 44.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.638 1.575 . . . . 0.0 112.088 -175.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 60.5 p -68.31 163.12 23.71 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.82 0.448 . . . . 0.0 110.138 169.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.3 -42.45 86.65 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.997 -1.065 . . . . 0.0 111.686 174.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.3 -43.0 82.79 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.805 0.842 . . . . 0.0 112.858 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.09 -32.57 70.7 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.753 1.16 . . . . 0.0 112.681 174.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -63.34 -43.9 96.41 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.115 0.87 . . . . 0.0 111.106 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 53.2 mt -59.98 -49.51 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.905 1.282 . . . . 0.0 111.051 169.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.87 75.74 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.824 -1.172 . . . . 0.0 113.433 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.54 -43.71 98.36 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.292 1.037 . . . . 0.0 111.645 169.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.47 85.19 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.244 1.018 . . . . 0.0 112.898 171.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 46.2 mtt -54.37 -55.1 31.96 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 125.461 1.504 . . . . 0.0 111.281 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -49.64 -47.77 49.7 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.396 1.079 . . . . 0.0 112.679 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 78.6 mtm -59.53 -54.24 48.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.872 0.76 . . . . 0.0 112.319 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 77.4 p -66.62 -29.75 69.86 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.85 -47.36 81.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.097 1.759 . . . . 0.0 111.163 173.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -66.43 -24.81 66.51 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.465 -0.772 . . . . 0.0 112.928 172.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -72.11 -8.76 70.41 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.945 1.259 . . . . 0.0 114.905 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -100.21 -147.49 0.35 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.214 1.806 . . . . 0.0 110.294 172.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.73 -8.67 59.21 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.048 1.739 . . . . 0.0 113.6 -172.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -79.14 2.74 19.81 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.977 1.711 . . . . 0.0 114.397 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -63.48 -11.88 43.39 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.011 1.291 . . . . 0.0 114.922 171.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.75 98.64 0.28 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.487 1.915 . . . . 0.0 110.851 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.18 157.87 21.39 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.553 1.141 . . . . 0.0 113.85 -175.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.95 -16.32 63.2 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.847 1.259 . . . . 0.0 113.92 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 23.1 m -68.46 -11.51 59.86 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.967 1.707 . . . . 0.0 114.465 175.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -64.98 163.79 13.93 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.685 1.194 . . . . 0.0 113.554 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.251 1.17 0 C-N-CA 126.721 2.008 . . . . 0.0 112.687 178.734 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -85.28 85.85 7.42 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.465 1.106 . . . . 0.0 111.078 -174.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.25 116.51 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.32 1.048 . . . . 0.0 109.14 171.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.0 m -79.08 140.47 37.86 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.817 -0.552 . . . . 0.0 109.63 170.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.6 mt -116.88 151.14 37.21 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 111.374 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -132.75 138.14 47.08 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.549 1.94 . . . . 0.0 110.198 169.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 p -99.82 167.2 10.68 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.508 1.123 . . . . 0.0 112.127 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.09 -24.08 67.34 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.765 0.826 . . . . 0.0 113.055 170.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -81.33 6.47 14.22 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.69 1.596 . . . . 0.0 112.796 171.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 64.81 23.72 12.72 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.015 2.126 . . . . 0.0 113.722 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -88.92 156.72 18.73 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.482 1.113 . . . . 0.0 109.446 173.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.5 p -135.24 143.84 46.55 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.713 0.768 . . . . 0.0 112.437 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -146.16 178.13 8.46 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.137 2.175 . . . . 0.0 110.193 -175.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -133.54 151.82 51.8 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.019 -1.051 . . . . 0.0 112.008 169.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -134.15 110.56 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 126.713 2.005 . . . . 0.0 108.794 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -73.6 107.35 5.82 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -124.45 152.66 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 127.168 2.187 . . . . 0.0 110.559 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -74.81 114.75 37.65 Favored Pre-proline 0 CA--C 1.55 0.971 0 O-C-N 121.039 -1.038 . . . . 0.0 111.212 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.52 -21.92 29.3 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.855 2.37 . . . . 0.0 113.54 -173.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -67.95 -22.44 65.04 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.328 1.051 . . . . 0.0 112.875 169.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -81.75 -177.92 6.76 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 122.542 1.163 . . . . 0.0 111.75 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 46.5 p -97.16 173.71 7.1 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -169.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.0 t -59.36 -39.42 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.413 1.085 . . . . 0.0 110.675 169.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -59.14 -38.2 79.1 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.96 1.304 . . . . 0.0 112.62 170.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.46 94.43 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.309 0.959 . . . . 0.0 113.005 170.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.49 -53.13 58.45 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.699 -1.25 . . . . 0.0 110.888 169.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -53.64 -40.57 65.95 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -49.59 68.73 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.497 1.519 . . . . 0.0 111.936 170.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -69.73 -36.87 76.22 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.743 1.217 . . . . 0.0 112.378 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.35 -51.35 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.779 1.231 . . . . 0.0 110.506 169.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.34 -44.61 84.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.205 1.002 . . . . 0.0 111.626 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -57.46 -50.17 73.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.078 1.351 . . . . 0.0 112.615 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -69.9 -54.31 14.01 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.266 1.026 . . . . 0.0 113.085 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -84.73 -18.86 33.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.966 1.307 . . . . 0.0 114.176 -170.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.38 148.12 21.16 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 127.083 2.278 . . . . 0.0 113.412 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.49 -31.19 71.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.094 1.358 . . . . 0.0 113.516 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -65.58 -35.62 81.35 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.064 0.945 . . . . 0.0 112.614 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.18 -49.94 6.95 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.532 1.133 . . . . 0.0 112.168 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -138.56 77.49 34.02 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.084 1.353 . . . . 0.0 111.643 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.25 148.46 55.58 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.697 2.265 . . . . 0.0 110.418 173.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.68 -45.0 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 124.203 1.001 . . . . 0.0 112.707 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.08 81.28 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.17 -39.33 58.26 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.272 0.939 . . . . 0.0 112.779 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -53.35 141.28 24.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.35 1.06 . . . . 0.0 112.897 172.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -130.0 151.79 50.17 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.643 1.977 . . . . 0.0 108.689 169.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.58 114.65 15.72 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.013 1.725 . . . . 0.0 109.842 -169.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.48 124.62 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.696 1.198 . . . . 0.0 110.353 -170.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -131.87 147.4 52.47 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.767 1.227 . . . . 0.0 111.789 175.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.87 28.39 3.69 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.84 12.92 82.16 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.607 2.051 . . . . 0.0 115.845 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -133.67 140.58 47.15 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.126 1.771 . . . . 0.0 112.227 -178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -70.41 128.3 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.6 -0.688 . . . . 0.0 110.344 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.05 137.62 47.28 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.433 1.493 . . . . 0.0 110.998 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -72.83 123.4 23.31 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.536 -0.727 . . . . 0.0 111.067 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -53.43 -41.23 65.85 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -173.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -85.41 -9.93 56.89 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.136 0.974 . . . . 0.0 113.61 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.5 m -85.14 147.64 26.52 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.207 1.403 . . . . 0.0 110.919 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.87 156.9 37.22 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.93 -36.9 84.64 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -64.8 -19.53 65.88 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.285 1.434 . . . . 0.0 114.048 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.76 -18.83 65.61 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.461 1.104 . . . . 0.0 113.45 173.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -113.28 1.54 15.22 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.804 1.642 . . . . 0.0 112.479 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 47.31 36.73 5.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 128.027 2.531 . . . . 0.0 114.06 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.7 mt -56.97 136.27 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.784 1.233 . . . . 0.0 109.312 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -115.9 157.76 24.01 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.114 1.366 . . . . 0.0 111.34 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.64 -23.79 58.73 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.99 -34.85 20.7 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.695 1.198 . . . . 0.0 113.164 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -77.96 174.17 11.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.368 1.067 . . . . 0.0 111.23 172.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -125.3 152.36 44.78 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.62 162.46 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 127.048 2.139 . . . . 0.0 109.177 169.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.2 t -105.12 128.29 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.516 -0.74 . . . . 0.0 110.834 170.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.73 134.91 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 125.765 1.626 . . . . 0.0 109.836 170.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -137.46 168.92 18.68 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.791 1.237 . . . . 0.0 110.686 169.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.06 113.43 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.365 1.066 . . . . 0.0 110.427 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.0 p -73.0 160.81 31.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.934 0.894 . . . . 0.0 111.996 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.21 123.78 83.44 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 124.127 0.971 . . . . 0.0 110.92 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.78 164.51 2.3 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.761 2.974 . . . . 0.0 115.19 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -84.47 4.84 29.9 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.579 1.552 . . . . 0.0 113.454 172.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.5 167.61 17.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.38 1.872 . . . . 0.0 113.019 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.76 1.72 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 126.751 2.02 . . . . 0.0 114.988 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.1 m -64.86 -7.75 12.53 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.869 2.068 . . . . 0.0 116.029 -173.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.5 p -66.62 163.33 42.72 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 125.579 1.552 . . . . 0.0 113.24 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.83 159.25 14.72 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.422 2.748 . . . . 0.0 113.716 171.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.52 155.67 88.08 Favored Pre-proline 0 CA--C 1.555 1.136 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.2 170.12 2.47 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.093 3.195 . . . . 0.0 114.692 170.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.05 27.69 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 127.144 2.178 . . . . 0.0 114.972 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 34.3 p 60.98 -49.46 0.11 Allowed 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 131.06 3.744 . . . . 0.0 116.579 -172.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.9 tp 58.44 -32.52 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 130.617 3.567 . . . . 0.0 116.644 -176.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -61.14 -14.73 26.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.803 1.641 . . . . 0.0 114.43 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -60.86 -20.1 61.22 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.862 1.265 . . . . 0.0 113.307 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -71.28 76.48 0.73 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.624 1.569 . . . . 0.0 109.983 169.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -72.76 -10.12 59.43 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.366 1.866 . . . . 0.0 114.674 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -68.27 162.17 25.67 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.448 1.099 . . . . 0.0 112.236 171.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -56.1 115.74 2.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.783 1.233 . . . . 0.0 110.354 169.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.36 0 C-N-CA 125.24 1.416 . . . . 0.0 112.747 -172.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 54.8 p -62.86 -15.99 56.91 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -176.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -71.26 -15.42 62.44 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.884 1.274 . . . . 0.0 113.901 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 43.5 ttp -68.21 168.11 12.92 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.191 1.396 . . . . 0.0 111.986 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 13.4 p -72.29 58.72 0.39 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.818 2.047 . . . . 0.0 111.996 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.49 162.35 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.481 1.513 . . . . 0.0 113.63 -178.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 21.1 m -63.78 105.4 0.81 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.256 1.822 . . . . 0.0 112.992 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -71.5 2.24 5.33 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.204 1.802 . . . . 0.0 115.796 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -66.6 18.3 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 128.46 2.704 . . . . 0.0 117.216 -170.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -52.48 130.44 31.66 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.877 1.671 . . . . 0.0 113.227 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -73.34 174.71 7.72 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.42 1.488 . . . . 0.0 113.916 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -145.17 -178.43 20.74 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 126.178 1.847 . . . . 0.0 113.294 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 157.81 11.4 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.462 1.505 . . . . 0.0 113.9 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 26.1 p -65.88 -46.77 77.19 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.088 1.355 . . . . 0.0 113.22 175.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 86.7 90.0 0.98 Allowed Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.361 1.458 . . . . 0.0 113.139 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 17.3 tp -56.45 128.44 74.01 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 125.3 1.44 . . . . 0.0 111.355 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.53 168.95 22.8 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.085 2.524 . . . . 0.0 114.086 -172.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -78.63 42.76 0.45 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.429 1.892 . . . . 0.0 110.586 168.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 5.2 mt 75.31 -6.74 1.91 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 130.146 3.379 . . . . 0.0 115.087 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 16.5 m -54.68 -53.86 49.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.566 1.546 . . . . 0.0 114.437 -169.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 59.1 p -100.34 -3.67 30.74 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.01 1.724 . . . . 0.0 113.858 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 24.3 ttm -71.18 129.3 38.57 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.849 1.26 . . . . 0.0 112.4 -172.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 6.8 m -59.56 145.75 43.18 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.091 0.956 . . . . 0.0 110.496 172.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.43 -37.78 78.96 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.906 -1.121 . . . . 0.0 112.783 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.39 -29.81 70.56 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.743 0.817 . . . . 0.0 113.103 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -78.03 -36.81 48.18 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.203 -0.936 . . . . 0.0 111.892 174.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -59.08 -45.42 90.87 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.553 0.741 . . . . 0.0 110.285 170.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 48.5 mt -57.84 -51.54 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.261 1.424 . . . . 0.0 111.437 170.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.59 73.09 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.052 1.296 . . . . 0.0 113.549 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -61.78 -46.64 88.68 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.465 -0.772 . . . . 0.0 111.667 170.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.81 86.94 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 171.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 43.7 mtt -55.45 -57.17 13.01 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.608 1.163 . . . . 0.0 110.65 174.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -53.19 -47.62 68.71 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.233 0.924 . . . . 0.0 112.754 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 67.2 mtm -60.41 -49.15 78.7 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.413 -0.804 . . . . 0.0 112.375 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 43.1 p -67.85 -34.4 76.64 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 42.9 tp -58.59 -43.76 89.61 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.871 2.068 . . . . 0.0 110.809 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -67.93 -53.45 26.25 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.562 0.745 . . . . 0.0 112.035 171.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -55.52 -25.6 42.75 Favored Glycine 0 CA--C 1.54 1.607 0 CA-C-N 119.177 0.899 . . . . 0.0 115.015 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -78.06 -63.36 1.41 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.731 2.013 . . . . 0.0 113.694 173.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -135.47 0.2 2.74 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -168.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 45.75 52.95 9.19 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.646 1.578 . . . . 0.0 113.325 -173.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -72.47 -6.28 65.52 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.06 1.314 . . . . 0.0 116.172 -174.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 50.86 -92.32 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.664 2.385 . . . . 0.0 113.088 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -136.24 7.49 3.12 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.806 2.042 . . . . 0.0 113.038 175.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -84.68 -15.45 45.25 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.197 1.399 . . . . 0.0 114.032 -174.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 20.9 m 60.23 178.7 0.09 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.358 2.263 . . . . 0.0 114.791 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.78 169.52 11.22 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.133 1.373 . . . . 0.0 113.226 175.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.889 2.076 . . . . 0.0 112.544 176.229 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -111.97 75.55 0.92 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.559 1.144 . . . . 0.0 109.819 -174.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.34 151.17 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.92 1.288 . . . . 0.0 112.36 -178.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.6 m -91.88 138.45 31.54 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 168.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.63 152.87 32.31 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.686 1.994 . . . . 0.0 110.395 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -137.42 141.71 41.65 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.864 1.666 . . . . 0.0 111.458 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 p -106.07 164.33 12.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.548 1.539 . . . . 0.0 111.963 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.97 -24.59 65.17 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.249 -0.907 . . . . 0.0 112.972 173.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -74.14 5.19 4.61 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.801 2.041 . . . . 0.0 112.688 171.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 68.17 20.46 8.89 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.065 2.146 . . . . 0.0 113.281 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -89.37 152.76 21.34 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.113 0.965 . . . . 0.0 110.201 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -136.17 138.02 41.52 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.001 0.92 . . . . 0.0 111.563 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -143.28 -179.05 6.17 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.742 2.017 . . . . 0.0 110.348 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -126.87 152.74 46.64 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.041 -1.037 . . . . 0.0 112.13 170.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -133.44 113.48 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.575 1.95 . . . . 0.0 110.188 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -80.95 100.51 8.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.893 1.677 . . . . 0.0 110.994 169.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tp -128.68 157.37 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.773 2.029 . . . . 0.0 111.668 -173.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.89 123.77 77.57 Favored Pre-proline 0 CA--C 1.556 1.183 0 O-C-N 120.917 -1.114 . . . . 0.0 111.833 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.46 -20.73 26.99 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.909 3.073 . . . . 0.0 114.777 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.32 -19.18 34.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.03 0.932 . . . . 0.0 112.205 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -73.6 170.3 15.48 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.189 0.995 . . . . 0.0 111.411 169.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 55.0 p -86.62 170.92 11.41 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -177.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -59.78 -26.62 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.234 -0.916 . . . . 0.0 111.954 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -61.62 -32.02 72.14 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.439 -1.413 . . . . 0.0 112.685 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.8 67.83 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.166 0.894 . . . . 0.0 112.55 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.5 -52.98 62.71 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.617 -1.302 . . . . 0.0 109.445 169.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.6 -45.89 57.64 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -45.34 89.35 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.581 1.082 . . . . 0.0 112.801 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -67.52 -38.26 83.99 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 123.732 0.813 . . . . 0.0 112.952 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.4 mt -60.59 -48.77 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.138 0.881 . . . . 0.0 110.639 171.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -47.12 82.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.323 1.049 . . . . 0.0 111.574 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.9 t -59.54 -50.28 74.51 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.283 1.433 . . . . 0.0 112.548 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -72.18 -47.92 47.15 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.677 1.191 . . . . 0.0 113.228 -174.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -94.9 -13.66 25.23 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.08 1.352 . . . . 0.0 114.099 -171.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.55 138.29 6.27 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 126.546 2.022 . . . . 0.0 112.711 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -65.52 -19.16 65.81 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -61.61 -39.92 92.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.278 1.031 . . . . 0.0 111.992 171.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.03 -49.12 10.6 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.433 1.093 . . . . 0.0 111.688 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -139.18 80.23 23.95 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.13 1.372 . . . . 0.0 112.341 -170.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.74 141.94 28.09 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.042 2.495 . . . . 0.0 110.451 176.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.66 -43.55 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.573 -1.329 . . . . 0.0 112.806 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.73 61.28 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.6 -25.7 8.51 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 125.282 1.42 . . . . 0.0 114.017 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -59.09 146.32 39.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.85 1.26 . . . . 0.0 112.849 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -129.81 149.44 51.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.574 1.95 . . . . 0.0 108.393 168.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.62 120.07 27.32 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.746 1.618 . . . . 0.0 109.167 -173.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.32 121.9 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.888 1.275 . . . . 0.0 110.55 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -133.08 149.07 52.17 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.661 1.184 . . . . 0.0 111.257 173.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.7 28.3 2.59 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.05 22.16 79.28 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 126.98 2.229 . . . . 0.0 116.132 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -135.2 147.8 49.47 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.39 1.595 . . . . 0.0 112.236 170.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -72.63 123.24 26.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 123.591 0.756 . . . . 0.0 109.679 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -67.31 137.41 56.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.298 1.439 . . . . 0.0 110.784 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -68.46 116.25 8.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 170.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -63.93 -23.87 67.51 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -80.86 -7.81 59.55 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.795 1.238 . . . . 0.0 113.608 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.2 m -98.4 151.38 20.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.474 1.51 . . . . 0.0 111.287 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.44 154.91 36.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -172.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.69 -33.85 76.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.844 0.858 . . . . 0.0 111.926 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -52.52 -38.27 59.31 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.653 1.981 . . . . 0.0 113.596 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.53 -34.21 77.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.278 1.031 . . . . 0.0 112.934 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -97.0 -4.06 40.45 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.186 1.394 . . . . 0.0 112.098 -174.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm 53.05 31.36 11.01 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.272 2.629 . . . . 0.0 113.647 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 mt -60.58 133.68 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 126.258 1.823 . . . . 0.0 110.096 -174.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -101.78 153.44 19.81 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.33 1.052 . . . . 0.0 112.263 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.94 -33.57 65.99 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.859 1.264 . . . . 0.0 113.17 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -77.84 -36.23 50.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.381 1.472 . . . . 0.0 112.013 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -77.0 170.96 15.58 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.785 1.634 . . . . 0.0 111.675 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -120.62 142.46 49.39 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -96.12 163.64 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.774 1.63 . . . . 0.0 110.013 169.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.6 t -112.2 130.46 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.551 -0.718 . . . . 0.0 110.534 172.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.6 p -115.53 137.14 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.663 1.585 . . . . 0.0 110.409 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.82 177.67 7.67 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.492 1.517 . . . . 0.0 111.136 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p -128.98 147.67 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.216 1.406 . . . . 0.0 109.79 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.4 p -129.52 158.05 40.33 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.713 2.005 . . . . 0.0 111.034 -176.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.21 121.34 83.76 Favored Pre-proline 0 N--CA 1.473 0.709 0 C-N-CA 124.68 1.192 . . . . 0.0 110.187 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -51.63 156.98 5.71 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.424 2.749 . . . . 0.0 115.247 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -103.88 1.49 31.46 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.188 1.395 . . . . 0.0 113.008 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.49 23.6 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.728 2.411 . . . . 0.0 115.611 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.96 -33.87 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 126.011 1.724 . . . . 0.0 111.188 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.4 m -136.39 171.1 14.98 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.147 2.179 . . . . 0.0 110.607 171.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.1 p -61.65 119.3 46.14 Favored Pre-proline 0 N--CA 1.478 0.948 0 C-N-CA 124.81 1.244 . . . . 0.0 111.788 174.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.92 133.1 50.19 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.476 2.784 . . . . 0.0 113.342 176.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -141.94 87.29 9.96 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 125.024 1.33 . . . . 0.0 111.411 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -53.31 164.32 1.98 Allowed 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 124.111 3.207 . . . . 0.0 114.422 172.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.57 -15.17 25.05 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.0 m -66.68 -27.98 68.09 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.108 1.763 . . . . 0.0 113.146 173.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.43 175.59 10.16 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.884 1.674 . . . . 0.0 111.438 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.62 -10.6 19.49 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 171.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -64.09 92.17 0.08 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.282 1.833 . . . . 0.0 112.361 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -74.2 80.52 1.8 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.179 1.392 . . . . 0.0 110.177 170.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -59.85 -26.09 65.55 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.241 1.416 . . . . 0.0 114.311 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -72.64 93.67 1.65 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.253 1.421 . . . . 0.0 111.086 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -139.43 174.65 10.29 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.913 1.685 . . . . 0.0 111.894 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 126.206 1.802 . . . . 0.0 113.283 176.764 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 37.8 m -65.23 164.07 14.02 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.09 1.356 . . . . 0.0 113.366 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -67.45 -16.64 64.33 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 6.5 tmm? -74.91 63.45 1.2 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.308 1.843 . . . . 0.0 111.545 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 43.0 p -140.71 -16.36 0.89 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.464 2.305 . . . . 0.0 113.021 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 32.4 pt -129.36 33.57 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 127.161 2.184 . . . . 0.0 111.532 -175.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 19.3 m -57.87 -17.12 14.41 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -169.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -70.08 -14.16 62.54 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.489 1.116 . . . . 0.0 113.107 169.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -131.42 -4.69 3.78 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.636 2.374 . . . . 0.0 113.995 -174.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.91 164.52 4.8 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.692 1.133 . . . . 0.0 112.861 174.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -67.09 -32.09 73.01 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.896 -1.128 . . . . 0.0 113.059 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -82.31 69.01 3.41 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.6 1.572 . . . . 0.0 113.887 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -132.92 155.43 49.09 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.428 1.891 . . . . 0.0 112.153 175.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . 0.258 4.9 t 45.08 -160.5 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 128.531 2.732 . . . . 0.0 115.296 173.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -146.19 173.41 26.49 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 126.915 2.197 . . . . 0.0 112.477 175.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.65 130.56 94.58 Favored Pre-proline 0 CA--C 1.553 1.058 0 C-N-CA 123.949 0.899 . . . . 0.0 111.537 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -61.88 166.66 11.77 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.675 2.917 . . . . 0.0 115.226 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.22 51.0 1.7 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.366 1.466 . . . . 0.0 109.061 168.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 8.4 mp 61.19 0.12 0.39 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 129.26 3.024 . . . . 0.0 116.052 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 24.2 t -60.06 -56.54 20.33 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.81 1.244 . . . . 0.0 114.196 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 6.0 t -100.23 -6.19 26.44 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.956 1.303 . . . . 0.0 113.254 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 8.5 ttm -72.57 121.24 19.36 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.245 1.418 . . . . 0.0 111.777 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 65.6 p -63.98 163.29 12.44 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.561 0.744 . . . . 0.0 112.073 174.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.98 -38.43 85.94 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.003 -1.061 . . . . 0.0 112.588 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.39 -36.09 78.63 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.241 -0.912 . . . . 0.0 112.895 175.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.32 -37.45 74.72 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.825 -1.172 . . . . 0.0 112.211 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -60.1 -42.91 95.71 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.163 0.985 . . . . 0.0 111.111 171.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 45.0 mt -57.05 -53.86 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.698 1.199 . . . . 0.0 110.871 170.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.68 77.09 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.722 1.147 . . . . 0.0 113.478 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -60.33 -46.39 90.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.86 1.264 . . . . 0.0 111.661 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.75 83.29 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.473 -0.767 . . . . 0.0 112.967 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 50.1 mtt -55.85 -51.67 66.71 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.697 1.199 . . . . 0.0 111.212 175.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -55.55 -44.18 76.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.125 0.97 . . . . 0.0 113.058 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.7 mtm -62.81 -48.81 77.51 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.726 0.694 . . . . 0.0 111.788 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 47.7 p -63.83 -33.02 74.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.37 -48.32 81.8 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.99 1.316 . . . . 0.0 111.203 170.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.85 -36.63 84.95 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.568 -0.708 . . . . 0.0 112.116 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.03 96.14 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 123.755 0.693 . . . . 0.0 112.894 169.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -71.01 -0.87 10.34 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.383 1.873 . . . . 0.0 114.834 172.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 86.98 11.92 0.14 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 130.008 3.323 . . . . 0.0 113.392 172.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -63.67 114.93 4.29 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.12 -0.988 . . . . 0.0 110.644 171.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -176.09 -165.85 32.54 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.667 1.127 . . . . 0.0 113.447 -172.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -65.92 -2.42 3.89 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -54.5 130.83 41.15 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.228 1.411 . . . . 0.0 112.845 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.31 -38.98 92.95 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.676 1.19 . . . . 0.0 113.338 -174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 15.9 t -153.61 168.12 27.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.422 1.489 . . . . 0.0 111.916 175.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -135.51 4.61 3.13 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.903 2.081 . . . . 0.0 113.197 173.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--O 1.255 1.349 0 C-N-CA 126.097 1.759 . . . . 0.0 114.135 -179.525 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.609 0.719 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -89.63 78.49 6.98 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 125.367 1.467 . . . . 0.0 111.8 -170.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.25 121.73 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.841 1.656 . . . . 0.0 110.285 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.3 m -79.6 140.71 37.04 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.899 -0.5 . . . . 0.0 109.98 169.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 mt -116.45 153.41 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.836 1.655 . . . . 0.0 111.807 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -134.72 133.49 40.01 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.943 1.697 . . . . 0.0 110.523 169.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 p -91.17 166.28 13.04 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.095 1.358 . . . . 0.0 111.617 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.7 mt -70.94 -14.66 62.45 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.177 -0.952 . . . . 0.0 113.262 172.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -86.67 10.58 15.25 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.009 1.724 . . . . 0.0 112.027 169.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 67.91 16.18 9.6 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.053 2.141 . . . . 0.0 113.953 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -89.39 155.53 19.28 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.417 1.087 . . . . 0.0 110.158 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.1 p -136.27 139.55 42.77 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.638 -0.664 . . . . 0.0 112.721 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -142.66 174.15 10.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.549 1.939 . . . . 0.0 110.74 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -131.45 141.34 49.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.391 1.076 . . . . 0.0 111.896 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mm -132.58 111.8 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.692 1.997 . . . . 0.0 109.454 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -76.21 104.37 6.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.856 0.462 . . . . 0.0 110.626 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.413 HD13 ' H ' ' A' ' 18' ' ' ASP . 5.9 tp -119.29 150.18 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 126.609 1.964 . . . . 0.0 111.023 -178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.413 ' H ' HD13 ' A' ' 17' ' ' ILE . 20.3 m-20 -73.93 114.5 33.33 Favored Pre-proline 0 CA--C 1.55 0.969 0 O-C-N 121.162 -0.961 . . . . 0.0 111.368 174.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.27 -16.7 31.39 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.881 2.387 . . . . 0.0 113.564 -175.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -73.91 -18.55 60.89 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.659 1.583 . . . . 0.0 112.906 170.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -87.02 178.1 7.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.829 1.252 . . . . 0.0 111.985 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 42.5 p -91.21 173.37 7.96 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -173.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.98 -34.02 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.195 0.998 . . . . 0.0 111.459 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.75 -34.19 71.12 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.182 -0.949 . . . . 0.0 112.508 171.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.56 -37.59 74.02 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.077 0.853 . . . . 0.0 112.868 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.19 -53.7 52.7 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.575 -1.328 . . . . 0.0 110.082 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -51.37 -43.07 61.77 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -45.57 92.79 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.565 1.075 . . . . 0.0 112.716 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -68.52 -37.56 80.14 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.488 0.715 . . . . 0.0 112.243 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.4 -51.59 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.369 1.067 . . . . 0.0 110.598 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -46.47 79.79 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.489 1.116 . . . . 0.0 111.602 177.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -59.15 -49.16 78.94 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.955 1.302 . . . . 0.0 112.791 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.88 -58.09 4.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.597 1.159 . . . . 0.0 112.813 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.45 -18.75 54.44 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.955 1.302 . . . . 0.0 113.875 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.66 139.21 6.13 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 126.676 2.084 . . . . 0.0 112.135 -171.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -67.08 -17.16 64.76 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.44 -43.88 97.76 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.6 -0.687 . . . . 0.0 111.353 169.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.99 -46.36 14.09 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.549 1.14 . . . . 0.0 112.09 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -138.06 76.19 39.72 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.491 1.516 . . . . 0.0 111.957 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.45 142.3 44.57 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.622 2.215 . . . . 0.0 110.06 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.3 t -51.92 -46.45 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 121.177 -0.952 . . . . 0.0 112.03 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.47 -17.64 64.76 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.28 -26.16 7.49 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.328 1.442 . . . . 0.0 114.136 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -62.58 141.89 58.26 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.561 1.144 . . . . 0.0 113.262 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -129.94 141.73 50.74 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.743 2.017 . . . . 0.0 107.991 168.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.36 127.37 46.5 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.2 1.8 . . . . 0.0 110.456 -169.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.79 125.86 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.802 1.241 . . . . 0.0 111.212 -169.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -130.95 146.45 52.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.995 1.318 . . . . 0.0 111.89 171.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.23 29.65 3.84 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.783 1.233 . . . . 0.0 114.301 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.51 13.21 83.14 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.998 1.285 . . . . 0.0 115.221 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -125.7 133.77 52.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.79 2.036 . . . . 0.0 111.177 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -69.27 126.48 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 121.687 0.756 . . . . 0.0 111.113 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.8 mt -69.4 120.05 14.61 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.747 2.019 . . . . 0.0 110.726 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -69.44 124.66 24.48 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.989 0.915 . . . . 0.0 111.55 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.61 -50.43 42.83 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.406 1.882 . . . . 0.0 114.511 -172.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.57 -14.74 59.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.096 1.358 . . . . 0.0 113.806 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.0 m -82.53 149.95 27.22 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.91 1.284 . . . . 0.0 110.8 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.97 155.79 32.42 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.98 -31.33 72.18 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.551 -0.718 . . . . 0.0 112.879 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -48.47 -39.81 24.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.676 1.99 . . . . 0.0 113.135 171.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -65.56 -16.41 63.66 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.768 1.627 . . . . 0.0 114.446 -174.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -114.84 -1.27 13.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.567 1.547 . . . . 0.0 112.503 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm 46.65 39.9 7.7 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.753 2.421 . . . . 0.0 113.719 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 53.6 mt -59.66 137.16 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.471 1.508 . . . . 0.0 109.816 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -103.99 162.81 12.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.027 1.331 . . . . 0.0 111.711 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -82.69 -37.32 24.96 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.225 1.01 . . . . 0.0 112.931 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -78.36 -39.06 40.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.582 1.553 . . . . 0.0 111.52 -176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -73.95 166.68 22.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.878 1.271 . . . . 0.0 110.347 171.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -116.11 151.33 35.82 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 122.266 1.031 . . . . 0.0 113.703 -176.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.8 158.37 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 127.641 2.377 . . . . 0.0 107.451 169.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.2 t -105.45 124.41 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 121.276 -0.89 . . . . 0.0 110.211 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -104.77 138.01 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.568 1.547 . . . . 0.0 109.624 171.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -138.05 163.34 31.83 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.807 1.243 . . . . 0.0 111.085 170.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.12 111.8 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 124.674 1.19 . . . . 0.0 110.08 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.6 p -86.16 142.79 28.38 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.355 1.062 . . . . 0.0 113.471 -171.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -157.78 168.2 12.93 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 127.47 2.308 . . . . 0.0 110.616 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -58.04 170.69 2.01 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.621 2.881 . . . . 0.0 114.638 169.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -71.23 -16.9 62.52 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.705 0.802 . . . . 0.0 112.93 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.83 171.42 15.21 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.805 2.042 . . . . 0.0 112.127 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.7 t 51.06 70.67 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 126.024 1.73 . . . . 0.0 110.964 -175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m -137.23 171.7 14.1 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.189 1.796 . . . . 0.0 112.051 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.6 p -64.66 163.4 27.91 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 125.022 1.329 . . . . 0.0 112.635 170.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.24 160.81 6.01 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.794 2.996 . . . . 0.0 114.727 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.95 162.01 42.0 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 125.38 1.472 . . . . 0.0 112.789 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.59 -2.69 12.2 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.502 2.801 . . . . 0.0 115.332 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -143.23 166.47 24.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.765 2.026 . . . . 0.0 111.361 170.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 34.1 p -77.69 -20.85 52.93 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.74 -43.45 80.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.001 1.321 . . . . 0.0 112.789 -175.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -62.73 -11.89 20.45 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.427 1.491 . . . . 0.0 114.203 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -112.6 4.55 17.34 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.707 2.003 . . . . 0.0 112.793 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -135.26 12.85 3.55 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.037 2.135 . . . . 0.0 112.43 -175.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.475 ' CG ' ' H ' ' A' ' 93' ' ' HIS . 12.9 t-80 -74.19 -175.79 2.38 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.422 1.889 . . . . 0.0 112.892 -175.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.475 ' H ' ' CG ' ' A' ' 92' ' ' HIS . 79.7 m-70 -61.3 -0.66 0.39 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.791 2.036 . . . . 0.0 115.668 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -63.72 -18.11 63.69 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.009 1.324 . . . . 0.0 113.8 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 69.0 t60 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.66 1.984 . . . . 0.0 113.107 178.173 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 16.2 t -142.05 179.45 6.88 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.45 1.9 . . . . 0.0 111.174 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -56.83 -30.87 64.18 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.832 1.253 . . . . 0.0 113.089 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 65.6 mtt -76.91 -13.13 60.02 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.258 1.423 . . . . 0.0 114.357 176.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 32.9 m -71.32 105.37 3.47 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.694 1.198 . . . . 0.0 111.111 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 47.3 pt -65.53 169.72 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.067 1.347 . . . . 0.0 113.051 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 21.6 m -59.83 155.39 16.34 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.293 1.437 . . . . 0.0 113.726 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -68.44 172.65 5.78 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.674 1.19 . . . . 0.0 113.718 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -130.97 175.51 9.02 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.533 1.933 . . . . 0.0 111.102 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.1 -23.94 10.61 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.854 1.661 . . . . 0.0 113.928 -177.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 57.58 -9.53 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 129.124 2.97 . . . . 0.0 117.909 175.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 175.09 -166.19 37.68 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.135 1.35 . . . . 0.0 113.526 -175.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -65.09 90.51 0.09 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.228 1.811 . . . . 0.0 111.946 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 34.4 p -83.67 -12.76 55.5 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.311 1.444 . . . . 0.0 113.993 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -88.37 -98.3 0.96 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.017 1.294 . . . . 0.0 114.312 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 16.3 tp -147.35 148.05 30.31 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.597 1.559 . . . . 0.0 110.831 -170.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.05 163.78 18.71 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.73 2.287 . . . . 0.0 114.001 171.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -83.19 54.9 2.93 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.498 1.119 . . . . 0.0 108.418 168.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 10.1 mp 62.47 0.21 0.6 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 129.011 2.925 . . . . 0.0 115.425 -169.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 6.9 m -52.61 -62.23 1.78 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.849 1.66 . . . . 0.0 113.773 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 15.0 m -88.46 -11.98 44.36 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.331 1.052 . . . . 0.0 113.802 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 64.5 mtm -71.63 127.74 33.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.126 0.97 . . . . 0.0 113.057 -175.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 7.3 m -63.95 164.33 10.58 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.459 1.904 . . . . 0.0 109.84 169.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.53 -40.43 75.07 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.311 -1.493 . . . . 0.0 112.448 175.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.7 -32.45 73.95 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.286 -0.884 . . . . 0.0 113.03 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.0 -39.74 49.29 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.477 1.111 . . . . 0.0 111.588 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -59.37 -44.85 92.66 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.402 1.081 . . . . 0.0 111.163 169.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 41.1 mt -56.96 -53.45 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.854 1.261 . . . . 0.0 110.911 170.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.03 -33.54 73.45 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.037 1.289 . . . . 0.0 113.434 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -63.68 -45.63 89.21 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.249 1.019 . . . . 0.0 111.684 169.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.76 79.16 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.208 1.003 . . . . 0.0 112.713 171.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 43.4 mtt -54.13 -57.81 9.71 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 125.731 1.613 . . . . 0.0 110.801 173.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.76 -41.88 67.64 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.879 1.271 . . . . 0.0 113.577 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.99 -53.34 47.71 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.078 0.853 . . . . 0.0 111.596 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 47.2 t -53.99 -47.6 71.26 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.613 1.565 . . . . 0.0 113.5 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 24.2 tp -58.61 -41.3 85.58 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 128.23 2.612 . . . . 0.0 112.415 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -76.99 -32.81 57.48 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.703 0.801 . . . . 0.0 112.741 174.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.21 -36.98 92.21 Favored Glycine 0 CA--C 1.536 1.395 0 O-C-N 121.641 -0.662 . . . . 0.0 112.311 169.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -73.39 -64.85 0.9 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.01 1.724 . . . . 0.0 113.725 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -146.58 -33.47 0.3 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -169.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -77.13 173.56 11.7 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.199 1.0 . . . . 0.0 113.64 -173.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 96.61 5.75 58.71 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.786 1.184 . . . . 0.0 115.238 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -137.66 149.59 46.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.928 1.691 . . . . 0.0 111.115 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -73.47 172.46 11.26 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.346 1.458 . . . . 0.0 113.36 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.79 167.24 19.88 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.322 1.849 . . . . 0.0 112.986 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 56.1 p -68.92 -10.43 57.17 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -70.17 -22.31 62.98 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 34.6 t70 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.757 1.623 . . . . 0.0 113.502 177.672 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.81 83.12 7.25 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.979 0.912 . . . . 0.0 111.525 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.06 115.53 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.548 1.139 . . . . 0.0 108.902 169.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -79.29 140.31 37.61 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.968 0.413 . . . . 0.0 109.931 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.1 mt -118.06 153.07 34.34 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.78 1.632 . . . . 0.0 111.956 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -133.28 130.18 38.61 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 126.236 1.814 . . . . 0.0 109.576 168.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.8 p -82.0 169.34 16.86 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.103 1.361 . . . . 0.0 111.726 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -64.55 -19.38 65.6 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -96.39 16.18 19.25 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.031 1.332 . . . . 0.0 111.875 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 61.37 27.37 17.0 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.672 2.389 . . . . 0.0 114.849 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -89.11 154.27 20.3 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.878 0.871 . . . . 0.0 109.464 171.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 63.3 p -135.63 145.86 47.27 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -171.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -147.75 171.52 15.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.951 2.101 . . . . 0.0 110.81 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -122.48 142.76 50.23 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.744 1.218 . . . . 0.0 111.58 169.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.7 mm -126.84 108.26 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 126.925 2.09 . . . . 0.0 108.691 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.7 102.62 2.84 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.895 0.478 . . . . 0.0 110.754 172.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 tp -121.57 150.78 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 126.468 1.907 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.65 119.13 72.29 Favored Pre-proline 0 CA--C 1.552 1.046 0 O-C-N 120.829 -1.17 . . . . 0.0 110.825 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.24 -12.86 28.04 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.033 2.489 . . . . 0.0 114.355 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -87.84 -13.75 41.31 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.035 -1.041 . . . . 0.0 112.583 171.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -80.89 179.63 7.75 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.234 1.014 . . . . 0.0 110.925 169.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 29.9 p -94.69 173.99 7.33 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -169.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.59 -36.48 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.345 1.058 . . . . 0.0 111.023 170.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.21 -37.01 81.47 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.057 -1.027 . . . . 0.0 112.103 170.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.74 93.94 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 118.942 0.792 . . . . 0.0 112.931 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.37 -54.61 41.5 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.843 -1.161 . . . . 0.0 110.983 169.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -51.45 -41.26 60.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.457 1.103 . . . . 0.0 113.206 171.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -51.28 63.52 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.171 1.388 . . . . 0.0 111.889 172.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -70.19 -35.78 74.17 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.472 0.709 . . . . 0.0 112.597 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.52 -53.81 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.544 1.138 . . . . 0.0 110.078 169.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.3 -46.62 85.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.724 0.81 . . . . 0.0 112.144 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -59.15 -48.55 81.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.482 1.113 . . . . 0.0 112.66 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.92 -53.79 10.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.655 1.182 . . . . 0.0 112.706 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -86.82 -11.93 49.45 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.911 1.284 . . . . 0.0 114.103 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.73 143.92 15.25 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 127.282 2.373 . . . . 0.0 113.965 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -63.71 -28.95 70.24 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.901 1.28 . . . . 0.0 113.962 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.07 -58.05 8.59 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 122.361 1.076 . . . . 0.0 111.505 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.21 -40.4 59.25 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.79 1.636 . . . . 0.0 113.522 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.02 68.34 56.82 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.143 0.977 . . . . 0.0 113.573 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.35 144.47 45.86 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.132 2.555 . . . . 0.0 110.983 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.42 -53.48 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 125.545 1.538 . . . . 0.0 111.91 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.2 -15.68 36.77 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.056 1.343 . . . . 0.0 114.618 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.68 -16.34 42.76 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.957 1.265 . . . . 0.0 114.627 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -81.78 144.41 31.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.234 1.517 . . . . 0.0 112.944 -174.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -128.95 134.46 48.21 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.645 1.978 . . . . 0.0 107.517 168.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.04 125.47 48.41 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.629 1.971 . . . . 0.0 109.888 -169.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.23 127.2 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.577 1.151 . . . . 0.0 111.208 -170.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -132.11 144.08 50.46 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.987 1.315 . . . . 0.0 110.924 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.85 30.07 4.86 Favored 'General case' 0 CA--C 1.556 1.191 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.67 18.34 79.46 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 126.59 2.043 . . . . 0.0 115.409 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -128.15 127.16 42.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.938 2.095 . . . . 0.0 110.738 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -68.12 124.65 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.734 -0.603 . . . . 0.0 110.344 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.2 mt -68.11 129.06 38.77 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.211 1.804 . . . . 0.0 111.021 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -74.04 123.15 23.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.976 0.911 . . . . 0.0 111.75 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.55 -47.48 19.64 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.868 1.667 . . . . 0.0 114.33 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -81.37 -15.75 54.33 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.4 m -80.22 143.77 33.48 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.089 -1.007 . . . . 0.0 110.766 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.92 152.25 35.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.46 -33.9 76.58 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.412 -0.805 . . . . 0.0 113.094 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -54.5 -27.52 38.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.071 1.348 . . . . 0.0 114.467 173.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -72.39 -17.36 61.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.935 1.294 . . . . 0.0 113.235 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -108.32 -3.73 18.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.032 1.733 . . . . 0.0 112.707 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt 50.64 32.07 6.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.922 2.489 . . . . 0.0 114.348 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.1 mt -58.13 143.44 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.809 1.644 . . . . 0.0 109.559 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -122.85 158.83 29.44 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.061 1.344 . . . . 0.0 111.458 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -71.96 -28.34 63.38 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.174 0.99 . . . . 0.0 113.563 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -81.38 -36.27 29.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.248 1.419 . . . . 0.0 112.638 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -68.64 173.09 5.43 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.417 1.487 . . . . 0.0 111.358 170.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -130.41 149.92 51.87 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.035 0.922 . . . . 0.0 113.284 171.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.21 163.57 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 127.608 2.363 . . . . 0.0 109.059 170.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.3 t -108.35 133.06 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.538 -0.726 . . . . 0.0 110.666 172.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.68 140.04 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.676 1.591 . . . . 0.0 109.978 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.2 ptm -138.55 156.81 47.16 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.436 1.094 . . . . 0.0 111.574 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.3 p -124.54 102.09 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.727 1.211 . . . . 0.0 109.9 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 p -76.07 147.07 38.92 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.469 0.708 . . . . 0.0 112.61 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? 35.12 72.46 0.72 Allowed Pre-proline 0 N--CA 1.482 1.128 0 C-N-CA 127.984 2.514 . . . . 0.0 114.093 -171.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.73 173.74 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.345 3.363 . . . . 0.0 114.966 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -68.54 -2.53 9.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.219 1.407 . . . . 0.0 114.097 169.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.82 177.42 8.05 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.443 2.297 . . . . 0.0 112.006 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.262 12.3 m 53.24 -7.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 130.817 3.647 . . . . 0.0 118.289 177.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.9 p -67.57 167.43 12.97 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.09 1.756 . . . . 0.0 113.161 170.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.6 p -69.62 162.24 68.68 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.911 1.285 . . . . 0.0 112.746 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -55.84 164.34 4.74 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.884 3.056 . . . . 0.0 114.912 174.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.44 163.34 50.2 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 126.258 1.823 . . . . 0.0 111.503 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -53.99 137.44 69.07 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.641 2.894 . . . . 0.0 113.81 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.56 88.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.879 0.872 . . . . 0.0 111.242 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 93.2 m -88.7 86.49 7.0 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.18 -13.18 16.09 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.508 1.523 . . . . 0.0 114.993 -169.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -54.81 -24.4 22.63 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.188 1.395 . . . . 0.0 113.674 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -71.97 -12.28 61.17 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -65.78 158.6 27.23 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.35 1.06 . . . . 0.0 112.883 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -65.68 162.32 18.74 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.9 1.28 . . . . 0.0 112.828 173.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -75.69 -3.38 34.32 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.369 1.468 . . . . 0.0 114.903 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -126.7 156.36 41.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.651 1.58 . . . . 0.0 111.804 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.1 m80 . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.237 1.815 . . . . 0.0 112.707 171.598 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 112.116 -0.394 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 20.7 m -64.89 -20.76 66.6 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -174.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -71.74 86.98 0.95 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.227 1.411 . . . . 0.0 111.282 173.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 60.6 ttm -55.35 110.41 0.69 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.577 1.951 . . . . 0.0 112.397 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 37.3 p -62.8 -34.55 77.51 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.91 1.284 . . . . 0.0 114.343 -173.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 16.3 tt -74.66 -15.85 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 124.508 1.123 . . . . 0.0 113.394 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 7.4 t -82.14 -165.51 1.02 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.346 1.458 . . . . 0.0 111.512 170.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -68.42 70.13 0.16 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.693 1.997 . . . . 0.0 112.462 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -64.1 -12.86 43.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.529 1.532 . . . . 0.0 114.51 177.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -75.25 -10.56 59.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.404 1.482 . . . . 0.0 114.592 -171.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -56.12 109.14 0.54 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.699 1.2 . . . . 0.0 111.713 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 132.84 -12.65 5.08 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.848 1.689 . . . . 0.0 114.526 -175.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 41.9 ptt85 -137.06 167.34 21.72 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.803 1.641 . . . . 0.0 112.702 172.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 53.5 p -79.98 -44.09 20.86 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.053 1.341 . . . . 0.0 112.794 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 81.34 2.59 90.56 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.597 1.57 . . . . 0.0 116.109 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.36 121.92 77.32 Favored Pre-proline 0 CA--C 1.553 1.074 0 CA-C-N 119.0 1.4 . . . . 0.0 111.145 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.77 171.2 1.59 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.034 3.156 . . . . 0.0 114.944 173.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -81.81 55.38 2.71 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 122.685 1.231 . . . . 0.0 108.908 168.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.9 mt 68.58 -12.3 0.37 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 130.821 3.648 . . . . 0.0 116.222 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 21.6 m -55.41 -57.72 10.72 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -170.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 17.5 m -100.57 -8.55 22.91 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -170.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 19.2 ptp -82.38 172.07 13.48 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 79.5 p -89.71 164.15 14.81 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.087 1.355 . . . . 0.0 111.994 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.78 -35.21 74.18 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.948 -1.095 . . . . 0.0 112.856 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.72 -37.26 83.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.089 0.956 . . . . 0.0 112.507 175.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -72.42 -37.71 68.55 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.676 0.79 . . . . 0.0 112.154 173.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -60.12 -45.33 93.35 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.97 0.804 . . . . 0.0 110.392 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.36 -52.48 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.551 1.54 . . . . 0.0 111.201 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.74 -33.85 73.55 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.682 1.128 . . . . 0.0 113.454 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -60.87 -48.33 82.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.959 0.904 . . . . 0.0 111.529 170.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.85 83.89 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.9 mtt -55.62 -52.31 64.24 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.334 1.054 . . . . 0.0 111.769 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.38 -43.58 88.52 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 62.4 mtm -63.61 -44.55 93.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.169 0.895 . . . . 0.0 111.952 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 25.0 p -64.97 -26.13 68.16 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.79 -36.03 79.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.043 0.937 . . . . 0.0 112.086 170.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.99 -34.53 64.23 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.116 0.966 . . . . 0.0 112.689 173.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -68.27 -25.55 74.58 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 123.467 0.556 . . . . 0.0 113.909 170.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -81.67 -84.7 0.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.897 2.079 . . . . 0.0 113.882 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -139.16 -6.75 1.39 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -169.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -66.95 155.16 39.26 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.995 -1.066 . . . . 0.0 111.103 177.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 74.47 2.65 64.14 Favored Glycine 0 CA--C 1.541 1.683 0 N-CA-C 115.911 1.124 . . . . 0.0 115.911 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -63.55 104.95 0.7 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.595 1.558 . . . . 0.0 111.781 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.42 167.35 16.77 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.854 1.261 . . . . 0.0 113.388 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.16 -26.7 67.88 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.763 1.225 . . . . 0.0 113.427 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 66.3 p -63.49 -12.31 30.87 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.453 1.501 . . . . 0.0 114.541 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -124.21 7.81 8.5 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.902 2.081 . . . . 0.0 113.534 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.819 1.648 . . . . 0.0 113.921 174.899 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 ttp . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.75 79.24 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.881 0.872 . . . . 0.0 111.329 -171.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.16 133.57 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.304 1.442 . . . . 0.0 109.7 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.3 m -80.02 135.77 36.44 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.787 -0.57 . . . . 0.0 109.818 169.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.86 149.59 30.38 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.101 1.76 . . . . 0.0 110.612 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -138.99 139.41 37.89 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.388 1.875 . . . . 0.0 111.314 173.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -102.51 166.53 10.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.334 1.453 . . . . 0.0 112.348 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 mt -72.07 -13.43 61.59 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 172.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -85.2 6.53 25.5 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.245 1.418 . . . . 0.0 111.09 169.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 61.64 27.14 16.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.004 2.522 . . . . 0.0 113.753 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.33 154.93 19.7 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.582 1.153 . . . . 0.0 110.043 171.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.5 p -136.42 146.08 46.01 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.911 0.884 . . . . 0.0 112.658 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -150.67 -169.26 3.34 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.917 2.087 . . . . 0.0 110.209 176.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.12 149.96 51.11 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.812 -1.18 . . . . 0.0 112.033 170.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mm -126.84 115.72 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.753 2.021 . . . . 0.0 109.029 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -74.52 102.0 4.36 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.95 0.5 . . . . 0.0 110.137 169.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.417 HD12 ' H ' ' A' ' 18' ' ' ASP . 6.0 tp -118.44 148.05 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.782 1.633 . . . . 0.0 111.116 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.417 ' H ' HD12 ' A' ' 17' ' ' ILE . 19.2 m-20 -75.0 114.54 35.91 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.103 0.961 . . . . 0.0 111.385 174.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.45 -20.61 31.37 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.967 2.444 . . . . 0.0 113.914 -174.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.92 -20.37 61.08 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.739 1.215 . . . . 0.0 112.999 172.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -82.19 178.52 8.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.578 1.151 . . . . 0.0 111.644 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 47.1 p -94.49 173.43 7.62 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -173.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.85 -32.21 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.349 1.06 . . . . 0.0 111.641 172.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -59.97 -38.85 83.71 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.759 -1.213 . . . . 0.0 112.054 170.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.83 -35.76 81.59 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 174.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.61 -55.1 39.24 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.098 -1.001 . . . . 0.0 110.791 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -49.93 -44.38 50.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.07 0.948 . . . . 0.0 113.169 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.4 -53.83 32.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.255 1.822 . . . . 0.0 112.082 171.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -69.02 -34.54 75.4 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.499 -0.751 . . . . 0.0 112.897 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.03 -49.16 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 123.852 0.861 . . . . 0.0 110.757 170.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.73 -42.41 88.66 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.072 0.851 . . . . 0.0 111.227 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 t -58.73 -51.34 70.39 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.041 1.336 . . . . 0.0 112.253 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -70.13 -56.19 7.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.748 0.819 . . . . 0.0 113.13 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -84.32 -18.19 37.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.048 1.339 . . . . 0.0 113.66 -171.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.5 136.76 6.15 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.577 2.036 . . . . 0.0 113.079 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -58.46 -21.26 50.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.818 2.447 . . . . 0.0 114.604 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -63.26 -29.25 70.62 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.176 0.99 . . . . 0.0 112.928 170.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.46 -41.14 3.93 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.669 1.587 . . . . 0.0 112.749 -173.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -136.91 70.65 57.29 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 126.063 1.745 . . . . 0.0 111.676 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.72 144.49 49.07 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.728 2.285 . . . . 0.0 110.786 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.83 -45.67 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 125.017 1.327 . . . . 0.0 111.99 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.21 -23.54 67.11 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.66 -25.91 8.36 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.171 1.367 . . . . 0.0 114.18 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -66.02 135.81 55.18 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.415 1.086 . . . . 0.0 113.34 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -119.89 138.24 53.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.882 2.073 . . . . 0.0 106.953 168.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.15 121.83 39.66 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.195 1.798 . . . . 0.0 109.542 -171.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -129.66 128.71 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.922 1.289 . . . . 0.0 111.001 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -134.93 144.53 47.51 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.34 1.456 . . . . 0.0 110.841 173.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.49 33.11 3.75 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.96 10.58 86.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 127.119 2.295 . . . . 0.0 115.987 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -128.61 137.29 51.61 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.064 1.746 . . . . 0.0 112.165 -175.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -75.41 127.03 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.717 0.807 . . . . 0.0 110.642 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.5 131.51 44.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.833 2.053 . . . . 0.0 111.77 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -72.43 119.45 16.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.41 1.084 . . . . 0.0 111.419 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -53.39 -37.68 62.68 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -174.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.03 -15.77 52.5 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.2 m -83.98 148.45 26.88 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.442 1.097 . . . . 0.0 111.081 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -78.19 156.05 30.03 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.04 -32.97 74.75 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.883 0.873 . . . . 0.0 113.315 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.96 -28.04 68.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.716 1.207 . . . . 0.0 113.779 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -67.77 -16.09 63.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.585 1.154 . . . . 0.0 113.172 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -109.31 -0.41 19.12 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.493 1.917 . . . . 0.0 112.526 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 49.52 33.4 5.69 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.824 2.449 . . . . 0.0 114.376 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.6 140.19 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.871 1.269 . . . . 0.0 109.733 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.73 159.03 23.67 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.93 1.292 . . . . 0.0 111.266 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.44 -34.24 76.81 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.123 0.969 . . . . 0.0 112.881 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -76.67 -33.63 58.26 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.985 1.314 . . . . 0.0 112.862 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -72.7 165.38 24.9 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.856 0.862 . . . . 0.0 110.747 171.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -114.64 149.25 36.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.723 0.809 . . . . 0.0 112.359 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.22 155.89 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 126.407 1.883 . . . . 0.0 108.3 169.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.6 t -107.76 121.59 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.353 0.597 . . . . 0.0 109.701 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.83 133.99 47.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 125.037 1.335 . . . . 0.0 109.641 172.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -133.92 163.86 28.58 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.689 1.196 . . . . 0.0 110.446 169.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.0 116.26 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.176 0.99 . . . . 0.0 109.378 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.4 p -74.27 165.81 24.53 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.539 -0.726 . . . . 0.0 112.478 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -67.27 156.26 88.65 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.183 0.993 . . . . 0.0 112.861 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -56.14 164.83 4.63 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.014 3.142 . . . . 0.0 115.978 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -78.38 -12.44 60.01 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.271 1.428 . . . . 0.0 114.519 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.57 177.47 8.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.613 1.965 . . . . 0.0 112.556 174.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.72 91.62 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.921 1.289 . . . . 0.0 110.005 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.3 p -99.29 0.91 44.02 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.513 1.525 . . . . 0.0 114.202 -176.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.2 p -77.7 159.9 75.71 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 126.353 1.861 . . . . 0.0 112.248 171.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.57 174.72 11.22 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.319 2.679 . . . . 0.0 112.455 173.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 157.57 46.15 Favored Pre-proline 0 CA--C 1.555 1.158 0 C-N-CA 124.099 0.96 . . . . 0.0 112.83 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -55.64 160.69 8.98 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.826 3.017 . . . . 0.0 114.703 175.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.46 1.48 7.95 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.397 1.479 . . . . 0.0 114.68 177.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.5 p -56.6 -28.89 61.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.599 1.56 . . . . 0.0 114.884 -174.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -64.49 -15.53 60.96 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 176.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -67.86 -24.9 65.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.456 1.103 . . . . 0.0 112.919 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -75.45 43.88 0.25 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.39 1.876 . . . . 0.0 112.424 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -43.26 -45.35 5.76 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.513 2.325 . . . . 0.0 115.094 -169.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -58.21 -27.7 64.15 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.929 1.292 . . . . 0.0 114.215 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -104.24 -32.79 8.94 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.999 1.719 . . . . 0.0 112.428 175.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -72.72 -36.24 67.75 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.208 1.403 . . . . 0.0 113.417 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--O 1.254 1.324 0 C-N-CA 124.973 1.309 . . . . 0.0 112.503 175.811 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 66.5 m -77.91 -15.12 59.26 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -67.07 159.11 29.47 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.553 1.141 . . . . 0.0 112.428 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 24.0 ptp -65.53 -20.93 66.54 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 14.9 t -151.76 166.65 30.69 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.909 1.684 . . . . 0.0 111.375 173.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.62 -4.31 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.077 1.751 . . . . 0.0 112.938 171.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 32.7 t -70.83 143.0 51.25 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.964 0.906 . . . . 0.0 112.315 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -76.64 -17.51 59.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.329 1.052 . . . . 0.0 112.764 169.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 34.51 71.25 0.11 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 128.424 2.69 . . . . 0.0 113.58 -172.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -69.23 -14.84 63.19 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.413 1.085 . . . . 0.0 113.852 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 42.9 t80 37.96 -87.81 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 129.74 3.216 . . . . 0.0 115.539 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -94.94 -11.91 55.99 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.079 1.323 . . . . 0.0 115.665 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -60.56 -37.83 82.54 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 119.495 1.648 . . . . 0.0 112.842 -176.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 38.4 p -95.71 -3.62 45.64 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.716 2.007 . . . . 0.0 114.009 -176.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -78.2 171.38 55.13 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.697 1.141 . . . . 0.0 114.273 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.07 122.32 76.75 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.01 1.324 . . . . 0.0 110.826 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.68 170.36 19.26 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.503 2.802 . . . . 0.0 113.135 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -79.44 36.6 0.31 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.56 1.944 . . . . 0.0 111.932 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . 0.255 10.0 mp 72.65 0.07 3.5 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 129.943 3.297 . . . . 0.0 115.178 -176.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 67.7 m -59.91 -51.6 69.0 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 47.2 p -100.32 -0.69 37.9 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.843 1.657 . . . . 0.0 114.654 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 7.5 tpp -66.33 144.98 56.23 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.953 1.701 . . . . 0.0 112.738 -177.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 79.8 p -85.96 162.1 18.69 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.846 0.858 . . . . 0.0 110.821 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.99 -43.79 98.1 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.06 -1.025 . . . . 0.0 112.62 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.16 -34.76 78.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.44 -0.788 . . . . 0.0 112.673 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -70.84 -37.12 73.14 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.104 -0.997 . . . . 0.0 112.5 173.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -59.46 -46.2 89.46 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.478 1.036 . . . . 0.0 110.916 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.91 -55.36 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.993 1.317 . . . . 0.0 111.071 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.63 76.18 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.256 -0.902 . . . . 0.0 113.091 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -61.25 -45.74 93.28 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.464 -0.773 . . . . 0.0 111.631 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.02 90.09 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.082 0.953 . . . . 0.0 113.533 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.9 mtt -57.18 -60.58 3.4 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.931 1.292 . . . . 0.0 110.29 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -50.43 -43.52 54.95 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.261 1.024 . . . . 0.0 112.391 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 39.4 ttm -56.55 -57.24 13.21 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.375 1.07 . . . . 0.0 112.662 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 88.2 p -65.01 -36.77 85.48 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.6 -37.29 86.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.218 1.807 . . . . 0.0 112.422 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -61.24 -33.03 72.85 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.791 -1.193 . . . . 0.0 112.161 175.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -63.87 -16.35 59.26 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.6 1.095 . . . . 0.0 114.809 171.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -92.84 4.28 54.15 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.074 1.75 . . . . 0.0 113.92 173.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 101.04 2.14 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 130.326 3.45 . . . . 0.0 112.908 170.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -69.62 -179.71 1.84 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.04 1.336 . . . . 0.0 112.529 170.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -152.17 174.48 31.13 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.429 1.014 . . . . 0.0 114.114 174.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -75.86 167.47 21.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.938 1.695 . . . . 0.0 111.346 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -59.43 -25.38 64.3 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.811 -1.181 . . . . 0.0 113.92 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -79.85 -12.39 59.76 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.219 1.408 . . . . 0.0 114.24 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 87.9 p -134.15 -18.75 2.01 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -170.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -69.24 169.92 11.2 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.23 1.412 . . . . 0.0 113.632 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.252 1.19 0 C-N-CA 127.171 2.188 . . . . 0.0 112.323 175.67 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptm . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -98.24 86.89 3.76 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.035 0.934 . . . . 0.0 110.138 173.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.01 149.12 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.812 -0.555 . . . . 0.0 111.268 173.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.1 m -86.66 134.99 33.57 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 168.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.51 154.94 22.98 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.986 1.714 . . . . 0.0 110.502 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -138.08 125.41 21.79 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.152 1.781 . . . . 0.0 110.946 170.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p -82.63 162.93 21.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.898 0.879 . . . . 0.0 111.893 171.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.8 mt -65.8 -28.11 68.77 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.208 -0.933 . . . . 0.0 112.745 171.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -72.58 8.28 1.5 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.983 1.713 . . . . 0.0 113.448 169.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 71.22 22.53 4.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.875 2.47 . . . . 0.0 114.161 174.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -89.06 119.39 29.53 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.705 0.802 . . . . 0.0 109.833 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 p -109.21 120.56 42.9 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.368 1.067 . . . . 0.0 111.479 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -139.26 -173.29 3.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.308 2.243 . . . . 0.0 110.139 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -123.48 156.94 34.62 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.137 -0.977 . . . . 0.0 112.597 173.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -133.93 113.72 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.516 1.927 . . . . 0.0 109.821 175.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -81.18 102.87 10.59 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.743 1.217 . . . . 0.0 109.445 169.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.427 HD13 ' H ' ' A' ' 18' ' ' ASP . 6.8 tp -127.0 154.03 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.576 1.95 . . . . 0.0 111.586 -174.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.427 ' H ' HD13 ' A' ' 17' ' ' ILE . 25.3 m-20 -79.43 118.57 73.17 Favored Pre-proline 0 CA--C 1.551 1.006 0 O-C-N 121.356 -0.84 . . . . 0.0 111.735 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -67.94 -26.65 37.53 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.214 2.609 . . . . 0.0 113.229 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.09 -19.32 60.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.477 1.511 . . . . 0.0 113.093 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -78.32 171.74 14.62 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.265 1.031 . . . . 0.0 111.556 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 62.5 p -93.75 169.21 10.48 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.39 -0.819 . . . . 0.0 112.989 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.49 -29.91 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.675 1.19 . . . . 0.0 112.784 -175.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -62.6 -23.63 67.15 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.728 -1.233 . . . . 0.0 113.705 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.2 -35.39 59.09 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.168 0.895 . . . . 0.0 112.804 169.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -56.2 -52.6 63.81 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.488 -1.383 . . . . 0.0 109.287 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -50.98 -46.18 61.26 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.196 0.998 . . . . 0.0 113.551 169.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.94 -44.27 91.35 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.802 1.183 . . . . 0.0 112.813 178.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -69.27 -35.75 76.39 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.641 -0.662 . . . . 0.0 112.521 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.07 -46.34 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.898 0.879 . . . . 0.0 111.106 170.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.97 -42.73 85.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.758 0.823 . . . . 0.0 111.224 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 t -63.05 -47.59 82.31 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.475 1.11 . . . . 0.0 112.758 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -64.94 -58.95 4.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.541 1.537 . . . . 0.0 112.854 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -84.77 -15.47 44.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.358 1.463 . . . . 0.0 113.981 -172.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.37 143.04 5.72 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 126.844 2.164 . . . . 0.0 112.314 -171.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -69.5 -14.65 62.98 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -62.31 -41.77 98.81 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.351 0.66 . . . . 0.0 111.045 169.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.24 -48.08 10.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.493 1.117 . . . . 0.0 111.753 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -138.58 75.89 37.09 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.137 1.375 . . . . 0.0 112.349 -173.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.1 141.59 40.17 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.905 2.403 . . . . 0.0 110.086 174.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.7 t -51.43 -46.8 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.717 -1.24 . . . . 0.0 112.1 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -20.56 66.54 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.49 -20.95 10.27 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.431 1.491 . . . . 0.0 114.334 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -66.73 149.87 49.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.667 1.187 . . . . 0.0 113.547 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -136.95 146.12 45.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.047 2.139 . . . . 0.0 108.234 168.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.5 127.12 41.83 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.352 1.861 . . . . 0.0 109.505 -170.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.85 122.42 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.83 1.252 . . . . 0.0 110.58 -169.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -128.71 134.86 48.6 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.991 1.316 . . . . 0.0 111.808 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.91 27.16 4.1 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.589 1.155 . . . . 0.0 113.516 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.04 -9.53 24.88 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.869 2.176 . . . . 0.0 115.205 -172.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -83.23 118.63 23.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.733 1.613 . . . . 0.0 110.095 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mt -64.52 119.47 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 121.346 0.593 . . . . 0.0 110.236 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.93 119.18 10.86 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.433 1.893 . . . . 0.0 110.667 178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.2 126.3 29.26 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.348 0.659 . . . . 0.0 111.586 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.04 -47.36 22.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.024 1.73 . . . . 0.0 114.475 -175.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -87.99 -1.53 58.05 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.864 1.666 . . . . 0.0 114.258 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -92.41 148.44 22.11 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.836 1.254 . . . . 0.0 110.024 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -79.71 157.17 27.24 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -175.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.54 -29.15 69.16 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.16 -0.962 . . . . 0.0 113.206 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -59.77 -29.65 68.33 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.25 1.42 . . . . 0.0 113.701 173.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -66.86 -16.38 64.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.895 1.278 . . . . 0.0 113.979 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -115.43 1.46 13.68 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.83 1.652 . . . . 0.0 112.456 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 46.02 37.55 3.87 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.132 2.573 . . . . 0.0 114.365 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.8 mt -61.58 142.79 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 125.86 1.664 . . . . 0.0 110.072 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -125.2 155.97 39.19 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.068 1.347 . . . . 0.0 113.001 -173.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -74.64 -29.98 61.46 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.505 1.522 . . . . 0.0 113.974 -176.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.71 -32.66 62.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.24 1.016 . . . . 0.0 112.304 177.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -82.08 177.04 9.04 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.774 1.63 . . . . 0.0 111.35 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -119.66 162.6 18.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.103 1.361 . . . . 0.0 112.501 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.07 157.94 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.869 2.067 . . . . 0.0 109.35 171.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.1 t -107.48 127.51 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.741 -0.599 . . . . 0.0 110.232 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.7 p -112.69 141.4 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.328 1.451 . . . . 0.0 110.275 172.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.4 ptm -138.45 169.14 18.31 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.175 1.39 . . . . 0.0 111.509 173.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.81 128.19 56.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 125.51 1.524 . . . . 0.0 108.627 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.0 p -69.51 160.36 31.61 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.141 -0.974 . . . . 0.0 112.987 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 38.7 80.31 0.28 Allowed Pre-proline 0 N--CA 1.483 1.186 0 C-N-CA 128.326 2.651 . . . . 0.0 114.69 176.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.22 163.81 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.994 3.796 . . . . 0.0 116.559 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.71 1.77 3.0 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.469 1.908 . . . . 0.0 114.727 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.09 106.46 0.1 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.982 2.113 . . . . 0.0 113.993 -175.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.2 t -75.51 118.72 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.673 1.989 . . . . 0.0 111.934 -172.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.9 p -77.5 162.85 26.83 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.107 1.363 . . . . 0.0 113.206 170.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.9 p -73.01 153.75 90.84 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 124.656 1.182 . . . . 0.0 113.32 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -78.65 175.86 10.55 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 C-N-CA 123.806 3.004 . . . . 0.0 112.535 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -142.73 163.27 39.57 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.258 1.823 . . . . 0.0 110.568 171.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -55.95 -19.01 24.23 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.874 3.05 . . . . 0.0 116.909 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.87 -13.83 61.77 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.804 2.041 . . . . 0.0 114.407 173.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -137.89 -14.23 1.41 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.896 1.678 . . . . 0.0 114.095 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.7 139.48 38.91 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.378 1.871 . . . . 0.0 111.122 173.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -55.34 153.09 7.6 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.029 0.932 . . . . 0.0 113.299 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . 0.26 1.1 p-80 50.16 -11.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 130.652 3.581 . . . . 0.0 118.797 -174.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -66.11 -25.91 67.21 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.446 -1.409 . . . . 0.0 112.815 176.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -58.06 -27.77 63.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.282 1.433 . . . . 0.0 113.731 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -64.49 -4.32 3.89 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.977 1.711 . . . . 0.0 114.917 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -12.67 6.06 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 175.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.522 1.929 . . . . 0.0 111.711 -178.113 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 87.5 p -56.98 -27.37 61.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.637 1.575 . . . . 0.0 115.198 -174.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -74.78 -12.06 60.31 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.414 1.486 . . . . 0.0 113.389 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 11.2 tpt 43.69 49.16 6.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.718 2.407 . . . . 0.0 113.823 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 26.9 p -71.24 -34.43 70.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.693 1.197 . . . . 0.0 113.088 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 10.3 tp -80.9 151.64 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 C-N-CA 125.46 1.504 . . . . 0.0 111.799 173.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.0 p -150.7 169.94 20.4 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.315 1.446 . . . . 0.0 111.569 169.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -86.68 -3.72 59.08 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.354 1.062 . . . . 0.0 113.457 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -73.04 -12.53 60.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.263 1.425 . . . . 0.0 114.206 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.62 69.67 2.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.915 1.286 . . . . 0.0 111.222 173.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.94 166.35 13.71 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.823 1.649 . . . . 0.0 113.423 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -77.6 173.09 55.12 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.888 1.232 . . . . 0.0 114.975 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -67.06 157.58 33.19 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.805 1.642 . . . . 0.0 112.195 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 29.5 p -71.15 -20.45 62.3 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.843 1.657 . . . . 0.0 115.252 -177.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -178.95 -173.49 44.31 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 119.288 0.949 . . . . 0.0 114.78 -175.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.56 157.82 44.38 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 126.179 1.792 . . . . 0.0 113.345 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -72.62 167.95 25.76 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.45 2.766 . . . . 0.0 114.043 -178.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.32 47.82 0.72 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.323 1.849 . . . . 0.0 110.592 169.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 11.0 mp 60.6 -1.94 0.2 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 130.237 3.415 . . . . 0.0 116.669 -173.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 21.0 p -59.37 -54.77 42.89 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.95 1.7 . . . . 0.0 113.904 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 49.9 m -100.01 7.05 45.02 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.733 1.613 . . . . 0.0 113.635 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 25.1 tpp -71.4 135.21 47.15 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.725 1.61 . . . . 0.0 112.761 -175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 44.9 p -78.65 156.15 29.16 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.36 0.664 . . . . 0.0 109.764 169.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.57 -39.82 89.43 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.954 -1.091 . . . . 0.0 112.483 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -62.28 -42.44 99.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.606 1.162 . . . . 0.0 112.761 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.22 -34.82 71.17 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.366 -0.833 . . . . 0.0 112.101 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -60.91 -46.72 89.53 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.793 1.237 . . . . 0.0 111.269 172.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.37 -51.8 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.835 1.654 . . . . 0.0 111.238 170.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.53 -34.36 75.41 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.98 -1.075 . . . . 0.0 113.333 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -61.02 -43.38 98.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.227 1.011 . . . . 0.0 111.841 170.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -59.73 -48.16 82.8 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.993 0.917 . . . . 0.0 112.61 171.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 50.6 mtt -53.59 -51.37 63.24 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.015 1.326 . . . . 0.0 112.112 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -55.32 -43.25 74.75 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.732 1.151 . . . . 0.0 113.404 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 75.3 mtm -66.23 -44.29 84.19 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.881 -0.512 . . . . 0.0 111.935 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 7.7 t -57.08 -40.68 77.38 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.025 1.33 . . . . 0.0 113.383 174.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.91 -36.84 70.64 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.537 2.335 . . . . 0.0 112.851 172.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -68.5 -26.57 65.52 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.116 -0.99 . . . . 0.0 113.175 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -74.94 -14.96 81.25 Favored Glycine 0 CA--C 1.539 1.585 0 O-C-N 121.511 -0.743 . . . . 0.0 113.4 169.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -100.58 -131.77 0.25 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.916 2.486 . . . . 0.0 111.452 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -85.2 17.82 2.86 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.436 2.295 . . . . 0.0 113.216 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 63.97 11.96 6.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.697 2.399 . . . . 0.0 114.859 -174.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 82.42 11.45 82.02 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.664 1.126 . . . . 0.0 115.698 173.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -56.79 -18.93 14.57 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.182 1.793 . . . . 0.0 115.327 -172.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -129.62 12.55 5.87 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.367 1.867 . . . . 0.0 113.541 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -109.67 -2.57 17.37 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 55.7 m -64.73 95.25 0.14 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.761 1.624 . . . . 0.0 113.805 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -77.55 -16.41 58.68 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.056 1.342 . . . . 0.0 114.505 176.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.254 1.316 0 C-N-CA 126.358 1.863 . . . . 0.0 114.401 -178.467 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 ttp . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 121.507 0.67 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -86.62 82.55 7.86 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.711 1.204 . . . . 0.0 111.611 -173.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -67.61 134.96 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.827 1.251 . . . . 0.0 109.759 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 m -80.04 132.43 35.99 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.457 -0.777 . . . . 0.0 109.846 169.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.18 148.29 28.06 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.164 1.385 . . . . 0.0 110.841 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -136.44 127.5 27.84 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.95 1.7 . . . . 0.0 111.385 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -87.53 164.38 16.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.298 1.439 . . . . 0.0 111.643 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.66 -19.38 63.61 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.921 -1.112 . . . . 0.0 113.518 171.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -76.0 5.45 6.58 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.815 1.246 . . . . 0.0 111.858 169.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 64.11 24.59 13.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.327 2.651 . . . . 0.0 113.692 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -88.93 151.69 22.17 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.123 0.969 . . . . 0.0 109.726 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.1 p -131.89 141.43 49.37 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.042 0.925 . . . . 0.0 112.832 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -146.69 -173.11 4.13 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.724 2.41 . . . . 0.0 109.626 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -134.27 157.98 44.92 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.872 -1.142 . . . . 0.0 111.578 169.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -135.07 115.46 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.592 1.957 . . . . 0.0 108.899 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -79.51 97.84 6.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.064 0.546 . . . . 0.0 110.355 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.529 HD13 ' H ' ' A' ' 18' ' ' ASP . 4.2 tp -113.59 148.32 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.669 1.988 . . . . 0.0 111.526 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.529 ' H ' HD13 ' A' ' 17' ' ' ILE . 15.6 t0 -77.97 116.34 57.78 Favored Pre-proline 0 CA--C 1.555 1.168 0 O-C-N 121.148 -0.97 . . . . 0.0 111.515 173.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.78 -13.74 24.34 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.745 2.963 . . . . 0.0 114.991 -175.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -84.44 -17.0 40.63 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.655 1.116 . . . . 0.0 112.54 174.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -74.47 168.31 19.99 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.092 0.949 . . . . 0.0 111.474 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.3 p -81.21 171.03 15.37 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.295 -0.878 . . . . 0.0 113.114 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.93 -28.66 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.565 1.146 . . . . 0.0 112.062 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -46.95 -47.93 21.62 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.341 0.973 . . . . 0.0 110.948 169.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.31 -34.65 77.81 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 tp -56.53 -55.7 30.56 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.517 -1.364 . . . . 0.0 109.775 169.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -56.0 -40.8 73.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.208 1.403 . . . . 0.0 114.091 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.8 -40.56 92.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.431 1.093 . . . . 0.0 112.551 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -38.8 86.74 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.272 0.629 . . . . 0.0 112.094 174.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.26 -48.95 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.756 0.822 . . . . 0.0 110.991 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.15 -43.04 82.13 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.472 0.709 . . . . 0.0 111.202 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.2 m -63.3 -46.96 84.31 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.814 1.245 . . . . 0.0 112.944 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -68.88 -57.81 5.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.018 1.327 . . . . 0.0 112.245 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -81.49 -16.88 50.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.714 1.206 . . . . 0.0 113.777 -172.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.7 143.38 7.64 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.66 2.076 . . . . 0.0 112.073 -171.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -68.52 -14.14 62.8 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.39 -42.03 98.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.498 -0.751 . . . . 0.0 111.092 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.06 -51.29 8.16 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.794 1.238 . . . . 0.0 112.091 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -138.26 70.3 47.54 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 125.113 1.365 . . . . 0.0 112.467 -171.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -67.74 138.01 43.75 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.174 2.583 . . . . 0.0 109.138 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -48.07 -44.99 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 CA-C-N 121.051 1.75 . . . . 0.0 113.465 -172.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.62 79.38 Favored 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.13 -35.89 47.69 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.915 1.245 . . . . 0.0 113.553 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -58.76 139.06 56.76 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.357 2.263 . . . . 0.0 110.993 172.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -130.24 154.53 47.49 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.593 1.557 . . . . 0.0 110.322 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.29 123.54 28.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.804 2.041 . . . . 0.0 110.736 -169.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.85 124.87 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.191 1.397 . . . . 0.0 110.408 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -132.47 141.92 49.01 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.309 1.444 . . . . 0.0 111.91 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.45 25.26 1.29 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.36 1.464 . . . . 0.0 114.21 -173.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.45 13.86 82.78 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 126.117 1.818 . . . . 0.0 116.024 -174.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -122.17 141.76 51.11 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.193 1.497 . . . . 0.0 111.705 174.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.28 124.18 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 123.76 0.824 . . . . 0.0 110.583 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.4 119.07 12.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.648 1.579 . . . . 0.0 110.745 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -68.3 120.49 14.51 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.936 0.895 . . . . 0.0 110.689 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.28 -29.18 57.63 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -175.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -88.13 -18.61 28.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.741 1.216 . . . . 0.0 113.478 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.9 m -81.71 153.83 26.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.188 1.395 . . . . 0.0 110.92 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -81.0 156.46 25.9 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.879 -1.138 . . . . 0.0 113.871 -177.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.93 -34.9 79.51 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.767 0.827 . . . . 0.0 112.452 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -52.03 -33.63 39.49 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.642 1.977 . . . . 0.0 113.802 173.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.64 -18.29 64.91 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.993 1.317 . . . . 0.0 114.088 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.93 -3.12 14.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.241 1.416 . . . . 0.0 112.385 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 51.19 33.01 8.74 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.613 2.365 . . . . 0.0 114.355 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.8 mt -58.45 144.28 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.535 1.534 . . . . 0.0 109.065 172.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -133.49 159.74 39.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.112 1.365 . . . . 0.0 111.238 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.19 -32.09 72.69 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.684 0.793 . . . . 0.0 113.004 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -70.33 -17.18 63.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.627 1.571 . . . . 0.0 113.953 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -103.96 165.82 10.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.12 1.368 . . . . 0.0 111.554 -175.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -108.4 159.75 16.42 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.22 1.008 . . . . 0.0 112.153 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.79 157.25 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 127.07 2.148 . . . . 0.0 108.701 170.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -108.68 129.81 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 122.845 0.458 . . . . 0.0 110.142 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -118.72 140.22 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.444 1.497 . . . . 0.0 110.905 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 ptm -141.81 171.67 13.75 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.751 1.62 . . . . 0.0 111.646 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.1 p -129.37 99.18 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.727 1.211 . . . . 0.0 110.254 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.7 p -70.06 137.91 51.63 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.52 1.128 . . . . 0.0 112.068 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -151.11 153.78 33.26 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 125.174 1.389 . . . . 0.0 111.771 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -57.62 168.49 3.08 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.807 3.005 . . . . 0.0 114.746 170.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -122.39 -2.59 8.98 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.185 1.794 . . . . 0.0 113.645 170.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 53.54 25.89 5.18 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.894 2.478 . . . . 0.0 115.916 177.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -130.38 -42.55 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 125.683 1.593 . . . . 0.0 113.286 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.3 m -134.91 -9.89 2.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.03 1.332 . . . . 0.0 114.183 -177.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -73.06 156.4 89.58 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 125.358 1.463 . . . . 0.0 112.408 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -73.81 177.55 7.96 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.529 2.819 . . . . 0.0 114.473 -171.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.99 165.93 3.01 Favored Pre-proline 0 CA--C 1.557 1.218 0 C-N-CA 126.509 1.924 . . . . 0.0 113.431 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.02 152.75 17.33 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 124.013 3.142 . . . . 0.0 115.175 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.88 -15.78 63.78 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.5 m -60.02 111.41 1.48 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.768 1.627 . . . . 0.0 110.868 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.81 -8.48 36.33 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.305 1.594 . . . . 0.0 115.305 -169.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -137.2 140.5 41.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.091 1.356 . . . . 0.0 112.046 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 33.01 53.1 0.36 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 129.286 3.034 . . . . 0.0 116.205 172.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -73.35 42.97 0.13 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.212 1.805 . . . . 0.0 114.13 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -54.02 -21.75 8.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.601 2.36 . . . . 0.0 115.045 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -58.87 -19.06 38.51 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.7 1.6 . . . . 0.0 113.875 172.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -60.1 -27.79 67.31 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.739 1.616 . . . . 0.0 114.546 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.55 1.54 . . . . 0.0 113.733 -173.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.512 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 43.3 m -139.88 167.53 21.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.398 1.479 . . . . 0.0 111.943 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -73.13 -15.26 61.48 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 21.9 mmt 43.25 66.93 0.71 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 128.075 2.55 . . . . 0.0 114.727 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 7.6 t -58.65 -22.98 58.23 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.14 -10.6 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 125.36 1.464 . . . . 0.0 114.727 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 69.7 m -77.71 61.84 2.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.326 1.45 . . . . 0.0 111.96 175.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.82 153.65 41.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.523 1.529 . . . . 0.0 112.507 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -68.85 158.51 34.33 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.039 1.336 . . . . 0.0 113.48 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -82.33 102.35 11.16 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.882 1.273 . . . . 0.0 110.089 169.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -72.94 -9.76 59.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.73 0.29 Allowed Glycine 0 CA--C 1.543 1.796 0 C-N-CA 126.942 2.211 . . . . 0.0 116.988 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -73.33 -6.14 44.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.682 2.393 . . . . 0.0 114.423 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 23.7 p -64.2 168.03 5.94 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.004 2.121 . . . . 0.0 113.979 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -138.56 -179.89 17.72 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.99 1.757 . . . . 0.0 113.595 178.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.96 159.68 74.6 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 124.993 1.317 . . . . 0.0 112.567 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -63.97 171.35 7.53 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.45 2.767 . . . . 0.0 114.625 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -80.18 50.77 1.29 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.737 1.615 . . . . 0.0 110.148 168.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 8.6 mp 64.27 8.11 3.95 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 129.138 2.975 . . . . 0.0 115.558 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 60.6 p -61.23 -58.36 8.62 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 90.0 p -100.73 -12.99 18.66 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -175.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 71.3 mtm -63.26 141.25 58.84 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.143 0.883 . . . . 0.0 112.574 -178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 30.8 p -65.25 169.75 5.37 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.968 0.89 . . . . 0.0 112.201 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.14 -39.38 82.21 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.809 -1.182 . . . . 0.0 111.783 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.97 -41.39 82.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.503 1.121 . . . . 0.0 112.669 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -64.44 -42.47 95.96 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.385 -0.822 . . . . 0.0 112.074 174.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -60.98 -44.97 96.59 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.852 0.861 . . . . 0.0 112.11 172.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.01 -51.56 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.818 0.847 . . . . 0.0 111.139 170.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.13 74.52 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.983 -1.073 . . . . 0.0 113.492 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -62.92 -43.69 98.1 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.202 -0.936 . . . . 0.0 111.83 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.54 85.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.613 0.765 . . . . 0.0 112.232 172.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.3 mtt -56.86 -49.44 75.48 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.826 1.25 . . . . 0.0 111.857 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -58.41 -43.26 88.55 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.85 0.75 . . . . 0.0 112.665 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 54.8 mtm -63.53 -48.55 77.06 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.98 0.809 . . . . 0.0 111.63 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 11.3 t -56.2 -37.79 70.12 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.813 1.645 . . . . 0.0 114.19 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.18 -14.33 47.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.011 1.725 . . . . 0.0 114.17 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -68.35 -28.26 66.98 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.115 -0.99 . . . . 0.0 112.701 172.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -76.53 -16.75 80.48 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.224 0.916 . . . . 0.0 113.55 170.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -84.18 -73.94 0.4 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.483 1.513 . . . . 0.0 111.16 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -145.3 -20.38 0.48 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -173.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -77.72 -11.09 59.84 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -169.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -61.66 -22.42 61.78 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 119.418 1.008 . . . . 0.0 114.818 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -77.24 -14.03 59.83 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.328 1.451 . . . . 0.0 114.68 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . 56.69 -19.29 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 129.377 3.071 . . . . 0.0 117.86 -173.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.22 -12.48 20.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.94 1.696 . . . . 0.0 115.001 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 6.1 t -69.7 -13.76 62.46 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.601 1.16 . . . . 0.0 113.845 172.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -69.59 174.44 5.01 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.194 1.398 . . . . 0.0 113.769 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 31.9 t70 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 127.122 2.169 . . . . 0.0 112.63 178.272 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 ttp . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.34 78.41 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.635 1.174 . . . . 0.0 110.935 -171.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.3 134.4 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.9 1.28 . . . . 0.0 109.928 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.2 m -81.28 133.04 35.37 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.75 150.66 27.28 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.687 1.595 . . . . 0.0 110.513 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -138.78 139.73 38.36 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.726 1.611 . . . . 0.0 111.555 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 p -103.61 164.42 11.68 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.306 1.442 . . . . 0.0 112.221 -176.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.84 -18.87 63.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 172.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -81.87 9.39 8.21 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.967 1.707 . . . . 0.0 112.677 169.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 65.49 22.39 11.84 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.296 2.238 . . . . 0.0 114.247 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -89.13 150.66 22.61 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.665 0.786 . . . . 0.0 109.668 174.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.7 p -132.85 138.06 46.92 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.804 0.842 . . . . 0.0 111.61 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -142.63 -175.86 4.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.814 2.046 . . . . 0.0 110.165 -173.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 151.22 52.08 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.199 -0.938 . . . . 0.0 111.777 169.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 mm -133.78 108.88 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 126.853 2.061 . . . . 0.0 108.996 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -77.93 95.86 4.88 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.968 0.507 . . . . 0.0 110.097 170.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -114.08 148.11 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.688 1.995 . . . . 0.0 110.723 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.91 120.72 82.91 Favored Pre-proline 0 CA--C 1.555 1.152 0 O-C-N 120.985 -1.072 . . . . 0.0 111.004 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.8 -14.33 17.41 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.264 2.643 . . . . 0.0 114.876 -172.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.07 -22.39 49.13 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.38 0.991 . . . . 0.0 111.25 169.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.2 179.12 3.49 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.017 1.727 . . . . 0.0 112.741 169.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 43.7 p -101.65 174.53 5.92 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -169.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.02 -33.69 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.794 0.838 . . . . 0.0 111.2 172.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.45 -39.86 89.05 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.999 -1.063 . . . . 0.0 111.483 169.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.83 90.28 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 172.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.5 -55.47 28.78 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.652 -1.28 . . . . 0.0 110.78 169.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -50.82 -42.25 58.22 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.889 0.876 . . . . 0.0 113.345 170.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -49.84 75.53 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.44 1.096 . . . . 0.0 112.409 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -65.14 -37.57 87.85 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.7 0.8 . . . . 0.0 112.573 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.94 -49.38 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.33 0.968 . . . . 0.0 110.741 171.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.24 -43.97 92.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.808 0.843 . . . . 0.0 111.817 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -60.52 -52.99 62.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.564 1.546 . . . . 0.0 112.379 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -75.1 -49.87 18.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.938 1.295 . . . . 0.0 113.081 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -87.3 -17.45 32.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.713 1.205 . . . . 0.0 113.672 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.08 131.71 5.9 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.427 1.965 . . . . 0.0 113.316 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -56.94 -21.35 29.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.975 2.51 . . . . 0.0 114.523 173.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.29 -32.0 69.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.285 1.434 . . . . 0.0 112.846 169.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.02 -36.49 4.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.436 1.495 . . . . 0.0 113.019 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -136.5 71.32 59.38 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.614 1.566 . . . . 0.0 112.074 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.35 143.88 44.48 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.538 2.159 . . . . 0.0 110.535 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -51.08 -45.96 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 124.756 1.222 . . . . 0.0 111.993 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.6 -21.09 66.13 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.48 -24.93 9.04 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.981 1.277 . . . . 0.0 113.849 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -67.7 149.26 50.22 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.737 1.215 . . . . 0.0 113.557 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -136.25 144.93 45.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.448 2.299 . . . . 0.0 108.388 168.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.1 125.32 42.36 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.446 1.498 . . . . 0.0 110.428 -169.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mp -132.06 120.36 43.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.152 1.381 . . . . 0.0 110.216 -169.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -127.65 148.9 50.39 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.538 1.135 . . . . 0.0 111.328 170.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.69 31.36 2.99 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.848 1.259 . . . . 0.0 113.501 -174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.43 16.93 74.01 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.123 1.82 . . . . 0.0 116.244 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -128.28 143.29 51.01 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.584 1.692 . . . . 0.0 112.364 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -71.97 127.24 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 124.171 0.988 . . . . 0.0 110.444 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -76.54 137.51 39.63 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.534 1.533 . . . . 0.0 111.755 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -73.54 120.54 19.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.362 1.065 . . . . 0.0 110.808 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -53.63 -38.42 64.04 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -80.17 -20.31 45.11 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.6 m -77.71 142.59 38.67 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.196 -0.94 . . . . 0.0 110.885 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -74.67 154.65 38.38 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 -177.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.54 -31.36 72.03 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.314 -0.866 . . . . 0.0 113.289 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -47.94 -40.94 23.56 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.194 1.797 . . . . 0.0 112.858 170.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.42 -19.52 65.82 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.615 1.566 . . . . 0.0 113.775 -174.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -107.73 -3.02 19.53 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.057 1.743 . . . . 0.0 112.958 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt 44.63 38.32 2.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.336 2.655 . . . . 0.0 115.401 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 54.7 mt -57.32 138.68 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.62 1.568 . . . . 0.0 109.74 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -106.83 157.0 18.08 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.581 1.152 . . . . 0.0 111.288 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -73.17 -33.41 65.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.721 0.808 . . . . 0.0 112.744 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.71 -34.82 34.24 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.823 1.649 . . . . 0.0 112.513 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -68.23 162.95 23.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.649 0.78 . . . . 0.0 109.877 169.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -117.18 140.91 48.94 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.646 0.736 . . . . 0.0 112.649 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.5 160.38 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.657 1.583 . . . . 0.0 109.039 170.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -110.46 122.27 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.394 0.616 . . . . 0.0 110.091 172.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -105.81 138.15 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 125.117 1.367 . . . . 0.0 109.573 170.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.6 ptm -132.49 159.89 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.529 1.132 . . . . 0.0 110.581 169.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.34 125.44 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 124.841 1.257 . . . . 0.0 109.065 176.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.1 p -70.6 155.83 40.23 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -172.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -77.92 -19.58 0.31 Allowed Pre-proline 0 CA--C 1.553 1.06 0 N-CA-C 119.482 3.142 . . . . 0.0 119.482 -171.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.56 159.31 8.81 Favored 'Trans proline' 0 C--N 1.356 0.94 0 CA-C-N 123.697 2.356 . . . . 0.0 116.673 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -125.14 6.93 7.86 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.916 2.086 . . . . 0.0 114.338 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 53.58 -155.4 0.22 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.691 1.596 . . . . 0.0 113.089 -173.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.61 -16.23 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 126.554 1.942 . . . . 0.0 115.557 -175.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.8 m -60.0 132.61 54.48 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.081 1.352 . . . . 0.0 112.913 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.3 p -67.3 161.86 60.52 Favored Pre-proline 0 N--CA 1.477 0.899 0 C-N-CA 123.849 0.86 . . . . 0.0 111.531 170.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.96 35.23 0.34 Allowed 'Trans proline' 0 CA--C 1.551 1.373 0 C-N-CA 124.289 3.326 . . . . 0.0 114.058 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.52 158.51 29.77 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 125.891 1.676 . . . . 0.0 112.091 170.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -74.32 80.53 2.21 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.827 3.018 . . . . 0.0 111.926 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 57.24 -15.39 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 130.078 3.351 . . . . 0.0 117.631 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.4 t -69.0 153.73 43.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.203 1.401 . . . . 0.0 113.425 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mp -84.27 -4.87 59.12 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.88 1.672 . . . . 0.0 112.606 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -74.51 66.39 1.38 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.13 1.372 . . . . 0.0 111.982 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -68.95 -13.64 62.56 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.804 1.641 . . . . 0.0 114.298 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 63.56 -26.75 0.07 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 129.691 3.197 . . . . 0.0 117.866 169.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -143.85 166.81 23.89 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.909 1.284 . . . . 0.0 113.692 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -78.58 173.66 12.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.631 1.572 . . . . 0.0 112.407 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -139.19 173.7 11.28 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.897 1.679 . . . . 0.0 112.059 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 70.9 t60 . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.216 1.406 . . . . 0.0 111.898 170.397 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 60.2 p -67.11 165.75 15.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.755 1.222 . . . . 0.0 113.374 175.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -147.24 171.13 15.88 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.882 1.673 . . . . 0.0 111.004 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 20.4 ttt 49.04 47.37 21.92 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.271 1.829 . . . . 0.0 113.251 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 18.2 p -76.58 52.08 0.78 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.447 2.299 . . . . 0.0 113.294 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -15.11 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.618 1.567 . . . . 0.0 114.68 -177.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 18.3 m -57.12 -16.45 7.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.368 1.867 . . . . 0.0 114.456 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -65.83 -17.72 64.84 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.09 1.756 . . . . 0.0 114.048 172.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -74.39 70.63 1.72 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.605 1.562 . . . . 0.0 112.304 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.94 -9.2 58.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.034 1.334 . . . . 0.0 114.3 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -67.14 160.37 26.94 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.982 1.713 . . . . 0.0 113.819 -172.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 167.25 178.65 39.68 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.546 1.546 . . . . 0.0 112.927 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -63.54 143.39 57.86 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.123 0.969 . . . . 0.0 112.306 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 42.1 p -112.52 -19.79 11.98 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.421 1.488 . . . . 0.0 113.502 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 155.94 170.91 21.79 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.313 1.911 . . . . 0.0 112.682 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.95 127.86 80.58 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 124.676 1.19 . . . . 0.0 110.083 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.98 173.3 1.84 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.628 2.885 . . . . 0.0 115.107 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.31 51.22 1.17 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.152 1.381 . . . . 0.0 109.536 168.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 10.4 mp 57.91 1.47 0.14 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 129.773 3.229 . . . . 0.0 115.969 -169.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 25.5 t -52.22 -60.26 3.42 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.077 1.751 . . . . 0.0 114.614 -171.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 70.7 p -100.31 -7.02 24.99 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 59.3 mtm -64.88 129.78 41.02 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.028 0.931 . . . . 0.0 112.746 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 48.1 p -64.36 172.43 2.55 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.676 0.79 . . . . 0.0 111.704 169.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -56.78 -41.06 77.01 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.092 -1.005 . . . . 0.0 111.907 172.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -68.32 -38.15 81.29 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.791 0.836 . . . . 0.0 112.982 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -67.66 -40.62 84.49 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.946 -1.096 . . . . 0.0 112.248 173.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.24 -43.54 95.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.4 1.08 . . . . 0.0 111.888 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 40.3 mt -55.93 -53.4 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.172 0.989 . . . . 0.0 110.72 169.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.79 -35.03 75.44 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.648 1.113 . . . . 0.0 113.236 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -59.68 -47.6 85.0 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.366 1.067 . . . . 0.0 111.283 170.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.71 93.33 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.235 1.014 . . . . 0.0 113.242 172.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.5 mtt -60.1 -52.84 63.64 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.142 1.377 . . . . 0.0 111.954 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -54.6 -48.37 72.27 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.748 0.819 . . . . 0.0 111.859 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 27.8 ttm -56.82 -49.23 76.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.206 1.002 . . . . 0.0 111.638 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 37.0 t -61.18 -41.34 96.61 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.994 2.118 . . . . 0.0 114.985 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 79.7 mt -51.83 -43.7 63.26 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.245 0.929 . . . . 0.0 111.09 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -75.03 -45.32 42.52 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.469 1.108 . . . . 0.0 112.825 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -61.68 -26.21 66.5 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.821 0.725 . . . . 0.0 114.847 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -75.16 -81.33 0.08 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.418 1.887 . . . . 0.0 112.239 169.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -152.52 18.0 0.62 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -169.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 56.88 48.94 15.0 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.755 1.622 . . . . 0.0 111.879 -169.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 170.95 174.33 38.72 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.83 1.681 . . . . 0.0 113.184 177.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -77.08 174.21 10.93 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.975 1.31 . . . . 0.0 111.164 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.23 7.78 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -137.09 -55.57 0.71 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.849 1.66 . . . . 0.0 111.146 171.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 49.9 m -71.48 87.44 0.88 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.189 1.395 . . . . 0.0 112.519 175.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -136.61 171.79 13.97 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.841 1.657 . . . . 0.0 112.439 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 36.1 t70 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.054 1.742 . . . . 0.0 114.131 177.582 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 ttp . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -92.29 78.66 5.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 124.439 1.095 . . . . 0.0 111.264 -170.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.54 131.31 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.006 1.322 . . . . 0.0 109.489 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.7 m -79.9 133.71 36.25 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 169.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.1 148.54 27.69 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.986 1.314 . . . . 0.0 110.604 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -137.65 140.18 40.71 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.1 1.76 . . . . 0.0 111.148 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 p -103.55 167.91 9.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.775 1.23 . . . . 0.0 112.29 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' B' ' 290' ' ' ALA . 38.7 mt -66.39 -26.82 67.43 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 172.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -75.66 3.56 9.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.118 1.367 . . . . 0.0 112.65 169.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 59.55 33.12 22.03 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.607 2.363 . . . . 0.0 114.085 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -89.05 153.31 21.1 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.633 0.773 . . . . 0.0 109.115 169.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 p -136.06 139.97 43.45 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.353 0.661 . . . . 0.0 112.777 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -143.61 -175.46 4.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.35 2.26 . . . . 0.0 109.916 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -131.71 153.91 49.55 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.999 -1.063 . . . . 0.0 111.83 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.5 mm -133.81 109.36 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 126.771 2.028 . . . . 0.0 108.899 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -78.64 95.21 5.2 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.795 169.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -114.16 148.98 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.599 1.96 . . . . 0.0 111.228 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -75.26 114.22 33.3 Favored Pre-proline 0 CA--C 1.55 0.973 0 O-C-N 121.243 -0.911 . . . . 0.0 111.808 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -69.44 -13.02 34.8 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.362 2.708 . . . . 0.0 112.812 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.36 -21.01 66.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.039 1.736 . . . . 0.0 112.705 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -97.99 175.53 6.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.687 1.595 . . . . 0.0 112.775 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 64.0 p -86.33 172.38 10.48 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.046 0.938 . . . . 0.0 113.389 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.56 -31.15 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.248 1.019 . . . . 0.0 111.95 174.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -56.12 -35.11 66.73 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.897 -1.127 . . . . 0.0 112.755 170.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.17 -37.17 72.19 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.92 0.782 . . . . 0.0 112.747 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 tp -56.01 -53.12 60.76 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.758 -1.214 . . . . 0.0 110.19 169.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -51.26 -44.59 61.82 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.627 1.171 . . . . 0.0 113.078 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -49.22 77.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.952 0.901 . . . . 0.0 112.376 174.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -61.65 -39.94 93.14 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.9 mt -62.25 -48.05 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.204 0.911 . . . . 0.0 110.342 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.94 -43.26 95.1 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.501 0.591 . . . . 0.0 111.815 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 t -58.01 -48.82 78.91 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.461 1.504 . . . . 0.0 112.412 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -73.78 -50.53 20.13 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.027 1.331 . . . . 0.0 112.965 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -89.5 -16.47 30.68 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.803 1.241 . . . . 0.0 114.088 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.14 156.04 25.42 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 126.461 1.981 . . . . 0.0 113.148 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.51 -26.4 68.69 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.805 1.242 . . . . 0.0 113.219 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -65.33 -41.98 93.42 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.81 1.244 . . . . 0.0 112.329 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.14 -54.16 5.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.541 1.136 . . . . 0.0 112.022 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -141.01 82.5 14.91 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 124.95 1.3 . . . . 0.0 111.804 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.68 151.71 64.0 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.323 2.015 . . . . 0.0 110.009 170.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.6 t -57.84 -45.47 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 120.26 -1.525 . . . . 0.0 111.264 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.37 -18.02 63.74 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.93 -22.24 6.36 Favored Glycine 0 N--CA 1.475 1.254 0 C-N-CA 125.076 1.322 . . . . 0.0 115.014 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -80.04 151.87 29.69 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 118.729 1.264 . . . . 0.0 112.507 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -127.77 150.45 49.8 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.384 1.874 . . . . 0.0 110.027 169.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -123.17 124.07 42.22 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.657 1.983 . . . . 0.0 110.507 -169.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.28 126.19 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.162 1.385 . . . . 0.0 110.41 -171.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -132.38 143.57 49.93 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.74 1.216 . . . . 0.0 111.498 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 46.97 35.47 3.34 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.682 1.193 . . . . 0.0 114.206 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.27 12.27 84.32 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.915 2.198 . . . . 0.0 116.147 -177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -128.75 133.37 48.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.238 1.815 . . . . 0.0 111.725 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -68.72 128.06 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.582 0.753 . . . . 0.0 110.721 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.0 mt -72.25 125.5 27.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.999 1.72 . . . . 0.0 111.272 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -68.67 118.9 12.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.989 0.916 . . . . 0.0 110.34 172.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.47 -33.51 63.73 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.41 -17.31 42.64 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.301 1.04 . . . . 0.0 113.546 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.1 m -82.73 151.5 26.16 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.88 1.272 . . . . 0.0 111.02 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.87 157.93 32.71 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.51 -35.39 80.72 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.864 0.866 . . . . 0.0 112.976 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -61.06 -27.88 68.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.299 1.44 . . . . 0.0 113.887 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -64.91 -18.01 64.84 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.846 1.259 . . . . 0.0 113.947 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.32 0.64 15.76 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.624 1.57 . . . . 0.0 112.367 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp 45.57 42.29 7.92 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.902 2.481 . . . . 0.0 113.427 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.0 mt -58.54 129.93 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.129 1.372 . . . . 0.0 110.174 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -99.46 157.27 16.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.237 1.015 . . . . 0.0 111.614 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -76.45 -38.46 55.39 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.835 0.854 . . . . 0.0 112.812 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -78.74 -34.35 45.87 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.155 1.382 . . . . 0.0 112.394 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -74.3 169.76 16.98 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.825 0.45 . . . . 0.0 110.078 169.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -118.76 143.88 46.62 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -92.43 154.8 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.662 1.585 . . . . 0.0 107.4 168.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.2 t -106.89 132.05 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.727 -0.608 . . . . 0.0 109.824 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.49 136.7 53.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 125.34 1.456 . . . . 0.0 109.838 171.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -132.1 162.03 31.83 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.956 1.302 . . . . 0.0 111.133 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.467 0.382 0 C-N-CA 125.329 1.451 . . . . 0.0 109.419 176.504 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 CA--C 1.544 0.718 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.54 -42.15 98.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.625 1.17 . . . . 0.0 112.929 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.51 -40.19 77.11 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.174 -0.953 . . . . 0.0 112.586 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.26 -44.14 95.54 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.025 0.93 . . . . 0.0 111.277 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 52.7 mt -56.72 -52.98 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.671 1.188 . . . . 0.0 111.386 170.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.49 -34.43 74.05 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.864 1.211 . . . . 0.0 113.243 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.51 -45.7 91.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.206 1.002 . . . . 0.0 111.553 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 290' ' ' ALA . . . . . 0.429 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -56.26 -46.09 79.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.102 0.961 . . . . 0.0 112.912 171.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.1 mtt -56.02 -58.56 7.41 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 125.596 1.559 . . . . 0.0 111.007 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -52.17 -42.69 63.65 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.74 0.816 . . . . 0.0 112.915 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 74.0 mtm -59.72 -56.6 19.85 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.211 0.914 . . . . 0.0 112.414 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 179.355 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttp . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -96.21 83.11 3.54 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.379 1.072 . . . . 0.0 110.5 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.17 136.03 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.358 1.463 . . . . 0.0 110.186 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.9 m -82.39 132.65 35.21 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.768 -0.583 . . . . 0.0 109.486 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.71 149.54 28.02 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.586 1.554 . . . . 0.0 111.011 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -138.03 136.73 37.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.113 1.765 . . . . 0.0 111.296 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 p -99.4 164.63 12.03 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.264 1.426 . . . . 0.0 111.696 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -68.09 -15.74 63.72 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.63 6.28 15.58 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.737 1.215 . . . . 0.0 111.889 169.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 62.57 23.49 13.96 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 128.07 2.548 . . . . 0.0 113.984 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -86.52 152.71 22.41 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.746 0.818 . . . . 0.0 109.566 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -132.45 144.8 50.73 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.015 0.912 . . . . 0.0 112.957 -177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -146.05 -174.98 4.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.825 2.45 . . . . 0.0 109.864 -172.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 153.39 50.31 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.825 -1.172 . . . . 0.0 112.133 169.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mm -135.74 113.39 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 126.385 1.874 . . . . 0.0 109.84 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -75.77 97.96 4.0 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.091 1.756 . . . . 0.0 110.558 169.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.7 tp -124.28 151.68 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.943 1.697 . . . . 0.0 111.884 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.26 114.72 49.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 O-C-N 121.282 -0.886 . . . . 0.0 111.351 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -72.68 -16.55 26.7 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.123 2.549 . . . . 0.0 114.185 -172.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -75.41 -18.98 59.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.966 1.306 . . . . 0.0 112.905 171.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.78 172.09 14.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.188 0.995 . . . . 0.0 111.695 171.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 29.9 p -89.74 173.86 8.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 122.564 1.173 . . . . 0.0 113.502 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 53' ' ' LEU . 76.9 t -56.12 -29.51 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.503 1.521 . . . . 0.0 112.497 175.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -57.62 -37.66 73.66 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.37 1.068 . . . . 0.0 112.238 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.55 66.68 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.792 0.837 . . . . 0.0 112.956 174.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.38 -55.23 33.95 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.553 -1.342 . . . . 0.0 110.376 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -51.01 -44.24 60.97 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.818 1.247 . . . . 0.0 113.491 170.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -47.17 83.17 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.414 1.006 . . . . 0.0 112.411 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.14 -36.92 77.97 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.429 0.691 . . . . 0.0 112.623 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.3 mt -59.54 -51.27 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.005 0.922 . . . . 0.0 110.806 170.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.03 -46.52 88.0 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.453 0.701 . . . . 0.0 111.619 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.3 t -57.44 -46.0 84.08 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.74 1.216 . . . . 0.0 112.754 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.48 -56.33 7.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.54 1.136 . . . . 0.0 112.749 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.22 -18.35 30.51 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.47 154.63 30.89 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.872 2.177 . . . . 0.0 113.24 -175.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.18 -30.23 70.66 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.704 1.202 . . . . 0.0 113.646 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.49 -34.2 76.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.788 0.722 . . . . 0.0 112.692 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.17 -56.33 4.66 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.824 0.85 . . . . 0.0 111.609 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -142.77 81.03 13.53 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.041 1.337 . . . . 0.0 111.946 -171.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.54 139.55 25.72 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 123.132 2.555 . . . . 0.0 110.683 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.7 t -50.11 -48.88 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.305 1.042 . . . . 0.0 112.349 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.05 -18.16 63.98 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.83 -19.63 12.86 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.489 1.518 . . . . 0.0 114.271 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -68.79 149.3 49.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.532 1.133 . . . . 0.0 113.257 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -134.92 146.29 49.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.231 2.213 . . . . 0.0 108.114 167.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.1 124.54 39.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.81 1.644 . . . . 0.0 110.282 -169.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -132.61 127.14 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.193 1.397 . . . . 0.0 110.868 -169.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -132.63 143.55 49.75 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.813 1.245 . . . . 0.0 111.124 172.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.97 27.21 3.09 Favored 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.6 32.41 74.72 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.918 1.723 . . . . 0.0 114.665 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -134.21 129.46 35.77 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.422 2.289 . . . . 0.0 110.87 170.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -69.4 125.3 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.617 -0.677 . . . . 0.0 110.35 172.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' HB3' HG21 ' A' ' 23' ' ' VAL . 29.3 mt -72.2 129.2 37.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.656 1.582 . . . . 0.0 110.946 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -78.3 131.16 36.94 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.61 -18.91 22.49 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.53 1.932 . . . . 0.0 115.583 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -111.18 3.41 18.46 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.677 1.591 . . . . 0.0 113.213 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -107.98 140.9 40.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.948 1.699 . . . . 0.0 110.072 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.94 155.71 38.38 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.49 -29.66 70.34 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.205 -0.935 . . . . 0.0 112.833 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -48.92 -38.56 23.15 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.585 1.954 . . . . 0.0 113.193 169.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -67.45 -15.02 63.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.76 1.624 . . . . 0.0 114.493 -173.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -115.8 0.55 13.19 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.782 1.633 . . . . 0.0 112.561 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 45.05 41.23 5.29 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.975 2.51 . . . . 0.0 113.812 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.56 134.86 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.44 1.496 . . . . 0.0 109.631 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.27 156.0 17.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.164 0.986 . . . . 0.0 111.168 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -70.73 -34.3 71.75 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.887 0.875 . . . . 0.0 112.59 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -79.04 -35.43 42.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.952 1.701 . . . . 0.0 112.58 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -71.14 163.1 28.29 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.632 0.773 . . . . 0.0 110.004 170.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -111.79 144.46 41.05 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.681 0.753 . . . . 0.0 112.698 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.69 157.29 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 126.134 1.773 . . . . 0.0 108.497 169.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.2 t -106.91 123.96 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.644 -0.66 . . . . 0.0 110.445 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.61 136.82 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.269 1.427 . . . . 0.0 109.608 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.8 ptm -135.63 163.05 31.03 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.679 1.191 . . . . 0.0 111.127 171.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.467 0.4 0 C-N-CA 125.219 1.408 . . . . 0.0 109.326 179.581 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -63.57 -43.43 97.03 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.956 1.302 . . . . 0.0 112.66 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.19 -38.04 78.45 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.148 -0.97 . . . . 0.0 112.698 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -60.2 -44.68 94.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.043 0.937 . . . . 0.0 111.256 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 56.1 mt -58.57 -51.29 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.27 1.028 . . . . 0.0 111.176 171.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -56.23 -39.37 72.42 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.503 1.047 . . . . 0.0 112.823 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.94 -47.39 83.43 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.573 0.749 . . . . 0.0 112.292 169.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.01 75.43 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 9.3 mmt -55.9 -56.7 17.52 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.994 1.318 . . . . 0.0 111.085 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -58.89 -41.46 87.18 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.739 0.816 . . . . 0.0 112.494 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 35.7 ttp -65.35 -44.72 86.8 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.661 -0.649 . . . . 0.0 111.752 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 175.304 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 ttp . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.579 0.704 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -86.31 78.06 9.38 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.956 1.302 . . . . 0.0 111.179 -173.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.94 130.65 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.024 0.929 . . . . 0.0 109.215 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.6 m -79.89 134.83 36.32 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 169.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.05 152.17 26.28 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.562 1.545 . . . . 0.0 111.163 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -139.35 139.16 37.16 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.103 1.761 . . . . 0.0 111.475 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 p -100.63 167.9 10.04 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.997 1.319 . . . . 0.0 112.364 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.0 mt -67.72 -26.68 66.27 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.194 -0.941 . . . . 0.0 113.083 169.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -74.62 4.42 6.21 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.184 0.994 . . . . 0.0 111.925 169.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 66.43 23.05 10.64 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.5 2.32 . . . . 0.0 113.522 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -89.21 158.88 17.71 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.347 1.459 . . . . 0.0 110.195 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.8 p -138.76 146.91 41.99 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.68 0.792 . . . . 0.0 112.87 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -150.51 -171.62 3.97 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.384 2.273 . . . . 0.0 110.09 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -127.63 155.16 44.32 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.917 -1.114 . . . . 0.0 112.516 169.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.4 mm -132.25 107.94 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 127.332 2.253 . . . . 0.0 108.606 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -75.37 100.7 4.51 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.37 169.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tp -120.61 150.33 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.396 1.879 . . . . 0.0 110.773 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -72.5 118.1 64.74 Favored Pre-proline 0 CA--C 1.552 1.032 0 O-C-N 121.075 -1.015 . . . . 0.0 110.77 174.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.84 -14.06 26.71 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.893 2.395 . . . . 0.0 114.603 -172.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -87.94 -13.38 41.98 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.167 -0.958 . . . . 0.0 112.44 173.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -79.67 175.23 10.8 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 122.112 0.958 . . . . 0.0 110.308 168.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 30.1 p -93.98 173.88 7.44 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -170.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' A' ' 53' ' ' LEU . 81.5 t -61.42 -31.83 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.886 0.874 . . . . 0.0 111.385 174.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -60.6 -36.78 79.41 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.987 -1.071 . . . . 0.0 112.403 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -37.81 82.49 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 118.744 0.702 . . . . 0.0 112.773 172.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.64 -54.75 42.43 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.943 -1.098 . . . . 0.0 110.96 169.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.57 -42.92 45.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.576 1.15 . . . . 0.0 113.231 171.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -54.59 29.46 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.7 1.6 . . . . 0.0 112.363 171.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -68.85 -34.48 75.54 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.626 -0.671 . . . . 0.0 112.491 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.27 -50.06 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.27 1.028 . . . . 0.0 110.858 169.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.94 -43.76 86.55 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.819 0.848 . . . . 0.0 111.293 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -61.3 -49.1 78.4 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.871 1.269 . . . . 0.0 112.714 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -66.61 -58.54 4.95 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.866 1.266 . . . . 0.0 112.713 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -85.03 -14.97 45.67 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.935 1.294 . . . . 0.0 114.011 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.91 140.25 6.75 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.639 2.066 . . . . 0.0 112.273 -174.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -25.07 66.85 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.348 1.059 . . . . 0.0 113.479 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.1 -31.43 72.29 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.726 1.61 . . . . 0.0 111.905 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.59 -49.14 6.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.796 1.239 . . . . 0.0 111.837 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.63 79.16 35.52 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.825 1.65 . . . . 0.0 111.845 -173.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.58 143.88 39.0 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.821 2.348 . . . . 0.0 110.095 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.9 t -51.34 -44.03 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 120.752 -1.218 . . . . 0.0 110.769 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -0.53 3.89 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.02 1.728 . . . . 0.0 115.59 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.59 -19.96 1.14 Allowed Glycine 0 N--CA 1.477 1.399 0 C-N-CA 125.317 1.437 . . . . 0.0 115.073 174.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -63.43 146.92 52.61 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.56 1.18 . . . . 0.0 114.162 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -133.44 144.03 49.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.298 2.239 . . . . 0.0 108.692 168.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -125.35 124.27 41.18 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 126.667 1.987 . . . . 0.0 110.001 -169.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -131.8 126.8 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.084 1.353 . . . . 0.0 110.456 -171.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -132.72 139.7 47.75 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.072 1.349 . . . . 0.0 111.303 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.35 26.9 3.31 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.32 17.55 77.76 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 126.502 2.001 . . . . 0.0 115.346 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -127.04 128.17 45.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.738 2.015 . . . . 0.0 110.943 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mt -69.29 124.6 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.614 0.766 . . . . 0.0 110.165 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' HB3' HG21 ' A' ' 23' ' ' VAL . 32.3 mt -68.67 128.34 36.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.921 1.688 . . . . 0.0 111.461 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -70.58 122.19 19.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.11 1.364 . . . . 0.0 111.999 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -49.05 -42.63 39.09 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.913 1.685 . . . . 0.0 114.865 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -89.53 -12.82 38.85 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.561 1.545 . . . . 0.0 113.84 -175.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.3 m -82.57 143.51 30.99 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.471 1.109 . . . . 0.0 110.606 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.91 152.24 35.43 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.97 -36.9 85.03 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.323 -0.861 . . . . 0.0 112.884 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -54.11 -26.29 26.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.638 1.575 . . . . 0.0 114.612 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -70.42 -22.5 62.72 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.22 1.008 . . . . 0.0 113.025 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -100.96 -3.12 30.13 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.232 1.813 . . . . 0.0 112.56 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mptt 47.5 36.94 5.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 128.09 2.556 . . . . 0.0 113.767 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 mt -58.79 139.15 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.21 1.404 . . . . 0.0 109.16 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -108.93 161.62 14.97 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.814 1.246 . . . . 0.0 111.032 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.88 -38.0 82.5 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.164 -0.96 . . . . 0.0 112.852 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -75.63 -36.04 60.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.223 1.409 . . . . 0.0 113.122 -177.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -70.78 158.97 35.4 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.686 1.194 . . . . 0.0 110.733 171.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -117.07 139.96 50.07 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.62 158.97 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 126.272 1.829 . . . . 0.0 108.717 169.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.6 t -110.67 132.38 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 122.988 0.515 . . . . 0.0 110.228 172.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -114.61 137.48 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 125.646 1.578 . . . . 0.0 110.292 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.1 ptm -135.72 168.94 18.35 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.186 1.394 . . . . 0.0 111.372 170.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 CA--C 1.535 0.365 0 C-N-CA 124.949 1.3 . . . . 0.0 110.137 -179.633 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.96 -36.9 85.02 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.737 0.815 . . . . 0.0 112.792 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.3 -31.82 54.95 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.354 -0.841 . . . . 0.0 112.291 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -61.14 -46.06 92.12 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.251 0.932 . . . . 0.0 110.463 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.44 -52.85 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.887 1.275 . . . . 0.0 110.74 171.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.05 76.5 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.887 1.221 . . . . 0.0 113.669 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -61.97 -46.23 90.16 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.541 1.136 . . . . 0.0 111.591 169.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.49 83.12 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.354 -0.841 . . . . 0.0 113.218 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 47.5 mtt -57.57 -51.3 70.05 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.277 1.031 . . . . 0.0 111.686 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -56.4 -44.54 80.37 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.052 0.941 . . . . 0.0 112.794 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.51 -48.81 76.05 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.839 0.745 . . . . 0.0 111.656 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -178.796 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 mtp . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -85.98 78.52 9.44 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.391 -0.818 . . . . 0.0 109.367 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.98 135.24 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.746 1.618 . . . . 0.0 109.847 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.2 m -82.37 134.87 35.26 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.611 -0.681 . . . . 0.0 110.082 169.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.93 151.16 27.43 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.206 1.803 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -137.95 126.62 23.69 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.241 1.817 . . . . 0.0 111.204 172.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 p -84.86 168.14 15.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.057 1.343 . . . . 0.0 112.156 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' B' ' 290' ' ' ALA . 34.3 mt -68.82 -23.88 64.32 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.06 -1.025 . . . . 0.0 113.572 171.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -77.92 6.42 7.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.007 0.923 . . . . 0.0 112.203 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 58.64 32.97 22.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.444 2.698 . . . . 0.0 114.356 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -88.98 149.38 23.3 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 169.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 p -129.85 139.58 51.17 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.932 0.872 . . . . 0.0 112.498 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -144.33 -179.62 6.65 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.152 2.181 . . . . 0.0 110.089 -173.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.45 149.35 50.61 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.146 -0.971 . . . . 0.0 111.424 169.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.2 mm -129.43 113.44 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.712 2.005 . . . . 0.0 109.286 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -77.44 97.2 4.89 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.783 1.233 . . . . 0.0 110.094 170.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -120.45 145.71 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 127.101 2.161 . . . . 0.0 111.293 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.72 121.8 68.7 Favored Pre-proline 0 CA--C 1.548 0.877 0 O-C-N 121.391 -0.818 . . . . 0.0 110.25 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.99 -27.96 80.11 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.475 2.783 . . . . 0.0 114.269 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -74.08 -17.84 60.9 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.199 1.8 . . . . 0.0 114.12 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -75.95 -10.37 59.37 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 32.7 p 82.17 174.03 0.1 Allowed 'General case' 0 N--CA 1.483 1.212 1 C-N-CA 132.273 4.229 . . . . 0.0 114.044 177.232 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.64 -33.34 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 120.743 -1.223 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -62.47 -26.49 68.55 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.998 -1.063 . . . . 0.0 112.757 173.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.41 -31.88 42.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.082 0.953 . . . . 0.0 113.299 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 tp -56.48 -51.35 68.78 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.652 -1.28 . . . . 0.0 108.782 169.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -53.84 -42.57 68.65 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.77 1.628 . . . . 0.0 113.611 169.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -43.65 96.77 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.353 1.433 . . . . 0.0 112.944 174.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -63.17 -46.15 88.49 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.329 1.051 . . . . 0.0 112.138 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -58.01 -49.75 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.534 1.134 . . . . 0.0 110.805 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -50.21 69.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.737 1.215 . . . . 0.0 112.038 174.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -60.45 -47.93 83.97 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.703 1.201 . . . . 0.0 112.906 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -70.43 -53.84 14.8 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.326 1.451 . . . . 0.0 112.72 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -88.89 -15.62 33.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -169.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.19 122.69 3.62 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.172 1.844 . . . . 0.0 112.896 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 pttm -53.17 -33.1 51.09 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.234 1.414 . . . . 0.0 114.609 -172.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.5 -33.37 75.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.126 0.57 . . . . 0.0 112.261 -172.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.88 -24.73 14.57 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.627 1.171 . . . . 0.0 112.951 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -131.54 68.15 80.74 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 126.651 1.98 . . . . 0.0 111.612 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.09 139.05 11.68 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.963 2.442 . . . . 0.0 111.626 -176.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -51.98 -46.2 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 120.928 -1.107 . . . . 0.0 111.54 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 -2.64 13.12 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.49 -16.97 2.21 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 126.016 1.77 . . . . 0.0 115.329 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -67.35 137.31 55.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.213 1.506 . . . . 0.0 112.449 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -121.29 149.17 43.31 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.583 1.553 . . . . 0.0 109.066 168.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.49 124.16 28.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 126.233 1.813 . . . . 0.0 109.395 -169.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.94 120.73 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.054 1.342 . . . . 0.0 110.486 -169.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -127.75 147.7 50.41 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.274 1.03 . . . . 0.0 111.567 169.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.22 26.53 2.99 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.953 1.301 . . . . 0.0 114.26 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.72 19.28 79.71 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.161 1.362 . . . . 0.0 115.141 -174.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -127.0 129.82 48.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.51 1.924 . . . . 0.0 111.29 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -67.66 127.12 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.492 0.717 . . . . 0.0 110.545 175.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -75.64 138.68 41.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.744 1.617 . . . . 0.0 111.857 -176.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -73.07 122.09 21.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.786 1.235 . . . . 0.0 110.829 175.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.08 -33.56 26.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.398 1.479 . . . . 0.0 114.483 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -100.25 -3.66 31.0 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.0 m -88.19 145.34 25.96 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.511 1.125 . . . . 0.0 110.291 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -74.26 153.82 39.23 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.082 -1.011 . . . . 0.0 113.408 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.47 -29.95 70.67 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.114 0.966 . . . . 0.0 113.019 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -58.16 -35.14 71.11 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.733 1.613 . . . . 0.0 113.026 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.0 -17.48 64.47 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.035 1.334 . . . . 0.0 113.829 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -107.17 -0.11 22.97 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.041 1.737 . . . . 0.0 112.668 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 47.71 36.58 5.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.815 2.446 . . . . 0.0 114.017 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.56 146.28 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.148 1.379 . . . . 0.0 108.972 171.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -122.89 163.68 19.88 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.079 1.352 . . . . 0.0 111.279 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.7 -27.96 60.61 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.321 -0.862 . . . . 0.0 112.573 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -79.31 -37.88 36.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.548 1.539 . . . . 0.0 112.953 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -74.26 168.07 20.35 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.085 1.354 . . . . 0.0 111.24 173.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -116.18 141.73 47.76 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.575 0.75 . . . . 0.0 112.371 173.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.75 161.94 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.17 1.788 . . . . 0.0 109.582 169.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.8 t -112.22 133.39 58.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 O-C-N 121.739 -0.6 . . . . 0.0 110.465 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -121.29 140.52 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.38 1.472 . . . . 0.0 111.323 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -141.78 173.38 11.56 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.722 1.609 . . . . 0.0 111.65 173.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.468 0.442 0 C-N-CA 124.948 1.299 . . . . 0.0 110.084 179.05 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -65.34 -43.77 89.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.116 1.366 . . . . 0.0 112.76 173.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -69.08 -37.67 78.6 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.145 -0.972 . . . . 0.0 112.368 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -58.9 -45.16 90.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.939 0.895 . . . . 0.0 111.49 170.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 34.0 mt -56.89 -53.95 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.213 1.005 . . . . 0.0 111.0 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.21 77.36 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.841 1.201 . . . . 0.0 113.506 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -61.37 -44.51 97.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.489 1.115 . . . . 0.0 111.808 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 290' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -57.05 -48.08 79.41 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.772 0.829 . . . . 0.0 112.337 170.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 42.2 mtt -57.42 -45.32 84.74 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.971 1.308 . . . . 0.0 112.284 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -58.31 -46.69 85.68 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.895 0.77 . . . . 0.0 112.504 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 79.0 mtm -66.16 -39.77 90.02 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.665 0.666 . . . . 0.0 111.894 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 CA--C 1.538 0.484 0 C-N-CA 125.511 1.524 . . . . 0.0 113.502 174.59 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.8 ttp . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 121.61 0.719 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -84.93 75.74 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.935 1.294 . . . . 0.0 111.48 -171.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.16 119.3 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.026 1.33 . . . . 0.0 109.819 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.5 m -79.56 141.02 37.0 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.963 0.411 . . . . 0.0 110.579 170.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 mt -118.04 153.58 33.46 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.049 1.74 . . . . 0.0 111.595 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -134.16 123.94 25.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.702 2.001 . . . . 0.0 110.298 169.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 p -81.16 167.61 19.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.977 1.311 . . . . 0.0 112.114 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' B' ' 290' ' ' ALA . 52.1 mt -68.09 -22.35 64.91 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.025 -1.047 . . . . 0.0 113.692 170.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -79.39 5.66 12.08 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.056 1.343 . . . . 0.0 112.07 169.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 57.89 34.09 23.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.126 2.57 . . . . 0.0 114.316 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -89.34 149.21 23.12 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.893 1.277 . . . . 0.0 108.668 169.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 p -131.65 138.69 48.85 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.788 0.722 . . . . 0.0 112.67 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -144.67 171.36 14.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.481 1.912 . . . . 0.0 110.796 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -125.81 144.29 50.7 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.539 1.136 . . . . 0.0 111.964 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 mm -130.94 111.95 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.67 1.988 . . . . 0.0 109.171 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -77.45 70.66 3.86 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 122.153 0.978 . . . . 0.0 111.657 175.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 tp -78.65 150.12 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 125.517 1.527 . . . . 0.0 111.61 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -77.15 113.48 31.2 Favored Pre-proline 0 CA--C 1.554 1.115 0 O-C-N 120.938 -1.101 . . . . 0.0 111.179 172.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -70.07 -12.74 32.87 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.517 2.812 . . . . 0.0 113.807 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -72.11 -23.25 61.29 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.674 1.124 . . . . 0.0 112.237 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -84.67 176.46 8.56 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.056 1.342 . . . . 0.0 112.128 175.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.6 p -93.58 174.67 7.07 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.253 1.021 . . . . 0.0 113.587 -174.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.55 -32.02 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.159 0.983 . . . . 0.0 111.869 174.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -56.79 -39.41 74.05 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.152 -0.968 . . . . 0.0 112.069 171.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.53 -35.35 73.1 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 tp -54.11 -54.61 37.11 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.504 1.047 . . . . 0.0 110.563 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -51.61 -44.03 62.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.123 0.969 . . . . 0.0 113.549 171.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -44.96 87.49 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.676 1.19 . . . . 0.0 112.772 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -65.32 -44.26 88.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.597 1.159 . . . . 0.0 112.508 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.63 -50.62 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.873 0.869 . . . . 0.0 110.745 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.95 -43.76 91.31 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.449 0.699 . . . . 0.0 111.57 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.5 m -61.42 -44.69 96.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.132 0.973 . . . . 0.0 113.006 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.9 -58.11 3.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.465 1.106 . . . . 0.0 112.53 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -76.31 -20.03 57.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.635 1.174 . . . . 0.0 113.705 -174.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.91 141.15 6.51 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.422 1.963 . . . . 0.0 112.317 -172.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -58.91 -21.78 58.34 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.552 2.341 . . . . 0.0 114.24 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -64.18 -35.63 81.41 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.61 1.164 . . . . 0.0 112.899 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.23 -50.42 5.28 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.039 1.336 . . . . 0.0 112.105 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -137.09 80.2 35.77 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 125.676 1.59 . . . . 0.0 111.597 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.81 148.57 58.56 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.415 2.076 . . . . 0.0 110.007 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -54.32 -45.8 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 O-C-N 120.568 -1.333 . . . . 0.0 111.422 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.9 -13.68 62.11 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.254 1.575 . . . . 0.0 115.254 -177.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.86 -23.22 4.03 Favored Glycine 0 N--CA 1.476 1.31 0 C-N-CA 124.78 1.181 . . . . 0.0 114.896 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -75.42 147.25 40.1 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.706 1.253 . . . . 0.0 111.983 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -128.22 151.71 48.94 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.586 1.554 . . . . 0.0 110.448 170.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -125.41 123.64 39.73 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 127.298 2.239 . . . . 0.0 109.576 -169.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.63 122.43 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.929 1.291 . . . . 0.0 110.531 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -128.37 146.54 50.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.522 1.129 . . . . 0.0 111.434 171.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.87 25.74 1.7 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.49 13.14 82.13 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.011 1.291 . . . . 0.0 115.395 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -126.33 134.89 50.97 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.791 1.637 . . . . 0.0 111.388 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.2 126.27 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 123.605 0.762 . . . . 0.0 110.761 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -69.0 125.24 26.04 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.121 1.768 . . . . 0.0 111.011 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -70.6 122.54 19.93 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.854 0.862 . . . . 0.0 111.533 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -49.55 -45.85 48.03 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.433 1.493 . . . . 0.0 113.978 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -77.62 -17.23 57.99 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.123 1.369 . . . . 0.0 114.298 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.0 m -82.69 145.3 29.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.385 1.074 . . . . 0.0 110.775 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.62 155.57 33.39 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.242 -0.911 . . . . 0.0 113.446 -177.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.69 -33.09 75.13 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.01 -29.51 69.75 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.866 1.266 . . . . 0.0 113.805 175.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.93 -20.28 66.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.592 1.157 . . . . 0.0 113.091 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -107.1 0.47 23.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.486 1.914 . . . . 0.0 112.608 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 tttm 43.6 40.61 2.99 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.616 2.766 . . . . 0.0 115.069 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.9 mt -58.77 136.85 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.314 1.446 . . . . 0.0 110.254 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -102.84 159.78 15.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.779 1.232 . . . . 0.0 111.736 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -78.13 -40.67 37.39 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -80.79 -32.66 35.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.917 1.287 . . . . 0.0 112.181 -175.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -76.42 168.92 19.2 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.955 0.502 . . . . 0.0 110.659 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -117.77 144.86 44.94 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -97.13 161.43 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 126.371 1.869 . . . . 0.0 108.115 169.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.5 t -103.18 127.82 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.321 -0.862 . . . . 0.0 110.054 173.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.5 141.26 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.142 1.377 . . . . 0.0 109.309 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -137.2 167.75 20.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.729 1.212 . . . . 0.0 111.05 170.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.467 0.382 0 C-N-CA 124.846 1.259 . . . . 0.0 109.867 174.394 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.03 -33.39 75.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.862 0.865 . . . . 0.0 113.097 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -72.4 -40.78 66.95 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.308 -0.87 . . . . 0.0 112.444 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -63.83 -42.24 97.66 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.336 -0.853 . . . . 0.0 111.276 171.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.13 -49.89 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.17 0.988 . . . . 0.0 110.959 171.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.28 -32.52 72.35 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 120.0 1.273 . . . . 0.0 113.676 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.2 -42.25 89.07 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.043 -1.036 . . . . 0.0 111.951 169.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 290' ' ' ALA . . . . . 0.423 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -58.12 -46.23 85.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.845 0.858 . . . . 0.0 112.112 171.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.4 mtt -57.78 -45.29 86.2 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.424 1.49 . . . . 0.0 111.733 173.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.63 -47.23 85.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.312 0.96 . . . . 0.0 112.425 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 69.2 mtm -63.07 -40.26 97.16 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.192 0.906 . . . . 0.0 111.922 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 124.935 1.294 . . . . 0.0 113.431 173.457 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.821 0.343 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -92.2 84.83 5.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.413 1.085 . . . . 0.0 110.38 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.75 133.59 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.422 1.089 . . . . 0.0 109.503 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.2 m -81.37 133.52 35.43 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.729 -0.607 . . . . 0.0 109.585 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.5 147.49 29.32 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.426 1.49 . . . . 0.0 110.628 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HE3' ' CG2' ' A' ' 12' ' ' THR . 2.9 tppp? -135.63 122.6 21.34 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.84 2.456 . . . . 0.0 109.723 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.1 p -85.52 166.06 16.6 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.719 1.208 . . . . 0.0 111.778 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.7 mt -67.53 -22.59 65.42 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.805 -1.184 . . . . 0.0 113.675 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -77.26 7.98 4.59 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.129 1.372 . . . . 0.0 111.798 169.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 57.45 28.5 15.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.68 2.792 . . . . 0.0 114.242 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -89.21 157.87 18.09 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.586 1.155 . . . . 0.0 109.497 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.425 ' CG2' ' HE3' ' A' ' 6' ' ' LYS . 33.4 p -135.83 148.1 48.54 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.328 1.061 . . . . 0.0 113.665 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -146.93 -179.95 7.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.0 2.52 . . . . 0.0 109.098 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -129.13 153.11 48.01 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.18 -0.95 . . . . 0.0 111.083 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.1 mm -134.7 110.74 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 126.133 1.773 . . . . 0.0 108.876 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -77.5 99.32 5.64 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.993 169.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.0 tp -117.33 143.76 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.522 1.929 . . . . 0.0 111.553 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -77.54 121.16 83.94 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 125.648 1.579 . . . . 0.0 111.057 171.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.11 -29.84 65.47 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.22 2.613 . . . . 0.0 113.886 -174.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -77.18 -20.86 54.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.981 1.712 . . . . 0.0 114.168 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -82.77 -6.01 59.2 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -169.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.8 p 87.02 174.14 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.343 1 C-N-CA 132.012 4.125 . . . . 0.0 113.748 173.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.09 -31.9 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 O-C-N 120.769 -1.207 . . . . 0.0 112.267 176.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -56.96 -37.16 71.17 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.964 -1.085 . . . . 0.0 112.354 171.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.11 -33.83 68.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 174.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.65 -55.5 33.2 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.091 -1.005 . . . . 0.0 110.042 169.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -50.37 -43.59 54.44 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.862 1.265 . . . . 0.0 113.606 170.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -50.76 63.38 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.101 1.36 . . . . 0.0 112.189 174.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -41.14 87.64 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.627 0.771 . . . . 0.0 111.961 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.79 -49.16 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.096 0.958 . . . . 0.0 110.843 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.04 -44.35 91.76 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.635 0.774 . . . . 0.0 111.377 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -59.98 -49.33 78.11 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.682 1.193 . . . . 0.0 112.589 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.98 -52.71 32.7 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.835 1.254 . . . . 0.0 112.683 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -90.23 -15.28 31.67 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -170.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.58 150.7 24.85 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 126.779 2.133 . . . . 0.0 113.165 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -63.04 -26.34 68.8 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.609 1.164 . . . . 0.0 113.343 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.59 -36.82 83.54 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.388 1.075 . . . . 0.0 112.657 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.55 -54.04 5.0 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.573 1.149 . . . . 0.0 112.022 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -139.03 77.56 31.07 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 124.963 1.305 . . . . 0.0 111.54 -172.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.43 146.58 56.47 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 C-N-CA 122.364 2.043 . . . . 0.0 109.929 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.4 t -51.4 -45.21 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 120.933 -1.105 . . . . 0.0 112.016 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.85 -14.89 61.6 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.36 -25.05 3.9 Favored Glycine 0 N--CA 1.476 1.322 0 C-N-CA 125.065 1.316 . . . . 0.0 114.8 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -71.43 144.79 49.63 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.477 1.139 . . . . 0.0 110.964 172.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -125.79 145.05 50.38 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.397 1.479 . . . . 0.0 109.764 171.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -121.75 127.23 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 126.806 2.042 . . . . 0.0 109.812 -169.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mp -134.65 126.95 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.002 1.321 . . . . 0.0 110.801 -171.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -132.09 137.19 47.65 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.759 1.224 . . . . 0.0 111.078 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 44.76 39.27 3.35 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.339 1.456 . . . . 0.0 114.551 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.8 28.42 73.62 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 126.79 2.138 . . . . 0.0 115.238 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -130.91 129.94 42.86 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.996 2.118 . . . . 0.0 110.723 173.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -73.21 123.27 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.693 0.797 . . . . 0.0 110.86 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.15 112.48 2.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.753 1.621 . . . . 0.0 110.639 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -71.49 125.13 26.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.486 1.114 . . . . 0.0 110.677 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.53 -46.77 57.58 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.803 2.041 . . . . 0.0 114.631 -169.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -78.75 -17.42 55.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.874 1.27 . . . . 0.0 114.046 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.9 m -76.59 145.6 38.84 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.545 1.138 . . . . 0.0 110.761 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.66 155.89 31.08 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.1 -1.0 . . . . 0.0 113.113 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 99.9 mt -69.8 -26.33 64.21 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.052 0.941 . . . . 0.0 113.317 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -60.26 -32.06 70.8 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.655 1.582 . . . . 0.0 112.899 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.08 -21.57 64.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.186 1.395 . . . . 0.0 113.363 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -102.92 -3.43 26.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.03 1.732 . . . . 0.0 112.545 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 45.48 43.44 8.83 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.874 2.47 . . . . 0.0 113.409 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.11 133.97 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.917 1.287 . . . . 0.0 109.722 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -102.77 157.1 17.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.333 1.053 . . . . 0.0 111.648 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.82 -33.18 57.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.683 0.793 . . . . 0.0 112.998 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -82.98 -33.93 26.5 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.109 1.363 . . . . 0.0 112.463 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -74.04 170.08 16.18 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.252 0.621 . . . . 0.0 110.253 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -115.95 147.53 41.05 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.93 0.892 . . . . 0.0 113.217 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.84 147.63 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.242 1.817 . . . . 0.0 107.614 169.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.1 t -99.11 134.58 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 121.88 -0.513 . . . . 0.0 109.944 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.98 137.46 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.219 1.408 . . . . 0.0 110.794 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.5 ptm -137.78 170.47 16.01 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.984 1.713 . . . . 0.0 111.686 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.468 0.433 0 C-N-CA 125.101 1.361 . . . . 0.0 109.478 175.342 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -62.24 -39.53 93.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.13 0.972 . . . . 0.0 112.787 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.96 -39.68 79.33 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.325 1.05 . . . . 0.0 112.269 174.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -63.03 -41.87 99.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.419 1.088 . . . . 0.0 111.502 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.61 -48.9 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.741 1.216 . . . . 0.0 110.816 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -57.03 -37.75 72.19 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.984 1.265 . . . . 0.0 113.124 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -58.98 -47.03 86.6 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.413 1.085 . . . . 0.0 111.927 169.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.12 84.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.823 0.849 . . . . 0.0 113.281 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 8.2 mmt -53.85 -55.41 26.98 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.87 1.268 . . . . 0.0 110.863 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -48.38 -49.46 34.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.188 1.395 . . . . 0.0 112.681 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 65.9 mtm -64.72 -44.68 89.42 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.668 0.667 . . . . 0.0 111.78 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 175.355 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttp . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 121.769 0.795 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -86.96 79.23 8.81 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.399 1.08 . . . . 0.0 111.23 -170.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.63 119.35 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.752 1.221 . . . . 0.0 109.601 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 m -79.4 140.95 37.27 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.944 0.498 . . . . 0.0 110.037 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 mt -116.39 154.01 31.02 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.567 1.547 . . . . 0.0 111.673 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -132.91 122.79 24.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 128.242 2.617 . . . . 0.0 108.887 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -82.75 165.78 19.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.71 1.204 . . . . 0.0 111.722 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' B' ' 290' ' ' ALA . 38.9 mt -67.78 -21.94 65.22 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.082 -1.011 . . . . 0.0 113.4 170.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -78.0 4.98 10.82 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.784 1.233 . . . . 0.0 112.224 169.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 62.2 27.36 16.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.173 2.589 . . . . 0.0 114.177 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -87.63 157.43 19.12 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.582 1.153 . . . . 0.0 109.225 170.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.9 p -136.61 144.59 44.17 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.528 -0.732 . . . . 0.0 112.388 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -145.93 171.77 14.34 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.834 2.054 . . . . 0.0 109.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -126.96 142.19 51.61 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.108 0.963 . . . . 0.0 111.56 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 mm -128.74 111.92 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 126.754 2.022 . . . . 0.0 109.008 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.73 88.5 2.24 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.089 0.947 . . . . 0.0 110.731 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.454 HD12 ' H ' ' A' ' 18' ' ' ASP . 5.6 tp -99.67 146.05 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.981 1.712 . . . . 0.0 111.141 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.454 ' H ' HD12 ' A' ' 17' ' ' ILE . 5.2 m-20 -72.97 109.12 5.51 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 126.486 1.914 . . . . 0.0 110.63 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -70.43 -15.68 34.61 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.303 2.669 . . . . 0.0 112.927 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.13 -20.74 64.05 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.351 1.46 . . . . 0.0 112.602 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -93.01 -179.08 5.0 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.663 1.585 . . . . 0.0 112.255 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.6 p -97.33 175.22 6.34 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.631 1.172 . . . . 0.0 113.626 -173.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 53' ' ' LEU . 69.3 t -61.24 -31.87 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.193 0.997 . . . . 0.0 111.63 174.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -58.63 -38.46 78.12 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.786 -1.196 . . . . 0.0 112.106 170.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.02 78.2 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.776 0.716 . . . . 0.0 112.878 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.95 -54.21 45.71 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.931 1.241 . . . . 0.0 110.476 169.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -51.75 -42.91 62.68 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -45.22 95.32 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.637 1.108 . . . . 0.0 112.802 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -45.22 93.88 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.868 1.267 . . . . 0.0 111.873 174.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.36 -52.89 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.524 1.129 . . . . 0.0 110.739 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.96 -42.35 84.8 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.77 0.828 . . . . 0.0 111.847 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -59.81 -52.32 65.96 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.506 1.522 . . . . 0.0 112.438 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -70.67 -54.43 11.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.406 1.082 . . . . 0.0 112.759 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -78.86 -19.32 52.27 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.7 1.2 . . . . 0.0 113.862 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.61 141.29 3.91 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.174 1.845 . . . . 0.0 111.661 -169.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -66.84 -15.85 63.89 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.71 -36.84 85.19 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.435 1.094 . . . . 0.0 112.28 169.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.6 -50.84 6.02 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.781 1.232 . . . . 0.0 111.925 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -136.88 83.45 28.75 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.467 1.507 . . . . 0.0 111.419 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.63 154.46 64.29 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.387 2.058 . . . . 0.0 109.746 171.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.89 -45.4 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 120.375 -1.453 . . . . 0.0 111.324 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.07 65.76 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.57 -24.77 6.9 Favored Glycine 0 N--CA 1.476 1.321 0 C-N-CA 124.735 1.16 . . . . 0.0 114.993 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.89 149.53 29.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.498 1.149 . . . . 0.0 112.814 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -127.7 153.31 46.65 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.906 1.682 . . . . 0.0 110.237 169.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -126.03 122.47 35.95 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.905 2.082 . . . . 0.0 109.994 -169.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.82 120.88 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.453 1.501 . . . . 0.0 110.012 -170.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -129.36 146.11 51.29 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.681 1.192 . . . . 0.0 112.735 172.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.97 25.45 1.65 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.407 1.483 . . . . 0.0 114.331 -174.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.74 79.7 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.721 1.629 . . . . 0.0 115.433 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -125.59 149.31 48.49 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.131 1.772 . . . . 0.0 111.281 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.32 128.35 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.203 0.601 . . . . 0.0 110.156 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.449 ' HB3' HG21 ' A' ' 23' ' ' VAL . 28.1 mt -71.12 124.1 23.65 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.029 1.732 . . . . 0.0 110.943 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -72.25 124.25 24.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.221 1.008 . . . . 0.0 111.228 177.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.58 -49.78 45.17 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.279 1.832 . . . . 0.0 114.308 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.98 -9.72 59.24 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.71 1.204 . . . . 0.0 113.986 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.4 m -85.6 146.65 26.77 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.74 1.216 . . . . 0.0 110.945 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.8 156.3 34.65 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.06 -32.76 74.16 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.86 -25.72 65.27 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.968 1.307 . . . . 0.0 114.044 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -66.2 -15.73 63.41 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.607 1.163 . . . . 0.0 113.614 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -116.41 -2.43 12.06 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.738 1.615 . . . . 0.0 112.863 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 45.1 39.56 4.0 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.862 2.465 . . . . 0.0 114.054 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mt -58.72 142.58 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.121 1.369 . . . . 0.0 109.128 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -121.27 157.83 29.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.932 1.293 . . . . 0.0 111.378 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.55 -33.54 71.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -79.67 -32.65 41.5 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.178 1.391 . . . . 0.0 113.018 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -79.18 177.3 8.93 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.345 1.458 . . . . 0.0 111.192 173.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -130.89 145.2 51.94 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.906 -1.121 . . . . 0.0 113.55 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.84 164.45 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.631 1.972 . . . . 0.0 108.98 169.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.9 t -109.81 130.36 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.469 -0.77 . . . . 0.0 110.243 171.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.1 141.24 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 125.414 1.486 . . . . 0.0 109.37 171.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -135.93 164.66 27.45 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.099 0.959 . . . . 0.0 111.658 170.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 CA--C 1.534 0.336 0 C-N-CA 125.256 1.422 . . . . 0.0 109.74 174.792 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.63 -41.03 98.3 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.719 0.808 . . . . 0.0 112.517 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -71.25 -35.78 71.53 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.411 -0.805 . . . . 0.0 112.598 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -59.0 -46.2 88.75 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.257 0.935 . . . . 0.0 111.369 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.08 -52.64 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.466 1.106 . . . . 0.0 110.817 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.44 76.29 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.52 1.055 . . . . 0.0 113.253 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -62.25 -43.59 98.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.074 0.95 . . . . 0.0 111.876 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 290' ' ' ALA . . . . . 0.425 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -56.73 -48.67 77.25 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.456 -0.777 . . . . 0.0 112.224 171.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 42.1 mtt -57.46 -45.12 85.12 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.775 1.23 . . . . 0.0 112.165 175.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -60.26 -40.27 89.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.991 0.916 . . . . 0.0 113.028 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 72.6 mtm -69.95 -41.49 74.47 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.273 -0.892 . . . . 0.0 111.635 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 125.373 1.469 . . . . 0.0 113.092 174.692 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 ttp . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 121.669 0.747 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -90.0 74.23 7.28 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 125.414 1.486 . . . . 0.0 112.045 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -63.05 136.07 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.018 1.727 . . . . 0.0 110.481 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 m -84.94 137.14 33.29 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.678 -0.639 . . . . 0.0 110.198 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.39 150.51 32.59 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.739 2.015 . . . . 0.0 110.534 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -137.67 126.73 24.31 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.175 1.79 . . . . 0.0 111.114 170.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -80.22 168.55 18.94 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.808 1.243 . . . . 0.0 112.284 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 mt -66.79 -18.91 65.61 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.864 -1.148 . . . . 0.0 114.072 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -83.45 6.48 20.07 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.031 1.332 . . . . 0.0 111.534 169.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 54.04 35.83 23.09 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.033 2.533 . . . . 0.0 114.172 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -87.87 140.43 29.51 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 169.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -127.13 136.72 52.5 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.82 0.819 . . . . 0.0 112.425 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -148.88 179.04 8.15 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.961 2.105 . . . . 0.0 109.438 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -119.81 151.82 38.24 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.725 0.81 . . . . 0.0 112.013 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 mm -131.11 108.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 127.128 2.171 . . . . 0.0 108.699 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -78.34 90.8 4.4 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.447 0.642 . . . . 0.0 110.799 170.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -106.28 145.72 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.212 1.805 . . . . 0.0 110.945 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -73.16 115.68 43.13 Favored Pre-proline 0 CA--C 1.553 1.065 0 O-C-N 121.028 -1.045 . . . . 0.0 110.782 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -72.24 -15.43 28.51 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.025 2.484 . . . . 0.0 114.123 -174.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -78.56 -18.19 55.01 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.268 0.94 . . . . 0.0 112.195 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.92 177.75 8.7 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.866 1.266 . . . . 0.0 112.134 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 43.7 p -93.41 174.57 7.14 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 122.397 1.094 . . . . 0.0 113.897 -174.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' A' ' 53' ' ' LEU . 76.7 t -61.76 -32.01 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.248 -0.908 . . . . 0.0 111.7 173.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -58.71 -36.5 74.36 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.038 -1.039 . . . . 0.0 112.018 170.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.43 77.95 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 tp -53.73 -54.95 30.85 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.693 -1.254 . . . . 0.0 110.347 169.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -51.18 -43.81 61.39 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.273 1.029 . . . . 0.0 113.431 170.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -46.18 89.05 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.436 1.016 . . . . 0.0 112.575 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -66.69 -38.47 86.83 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.892 0.877 . . . . 0.0 112.183 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.3 mt -60.39 -49.41 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.161 0.985 . . . . 0.0 110.825 170.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.24 -43.63 92.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.461 0.705 . . . . 0.0 111.514 177.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.6 t -60.39 -45.36 93.83 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.803 1.241 . . . . 0.0 112.51 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -67.61 -55.73 12.2 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.777 1.231 . . . . 0.0 112.724 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -88.68 -18.41 27.95 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 153.3 27.85 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 127.066 2.27 . . . . 0.0 113.366 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -62.96 -29.34 70.73 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.729 1.212 . . . . 0.0 113.252 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.71 -33.29 75.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.22 1.008 . . . . 0.0 112.611 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.09 -54.48 4.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.696 1.198 . . . . 0.0 112.058 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -139.61 77.4 28.25 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.109 1.364 . . . . 0.0 111.725 -172.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -72.11 142.29 37.86 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.829 2.352 . . . . 0.0 110.292 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.7 t -51.11 -46.87 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 120.872 -1.143 . . . . 0.0 111.751 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.99 -16.43 63.89 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.54 -21.28 7.66 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.531 1.539 . . . . 0.0 114.492 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -67.98 143.92 55.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.325 1.05 . . . . 0.0 113.319 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -131.83 138.43 48.49 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.523 1.929 . . . . 0.0 107.834 168.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -120.82 127.1 51.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.558 1.943 . . . . 0.0 110.332 -169.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.08 126.04 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.256 1.422 . . . . 0.0 110.235 -170.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -132.16 134.83 45.86 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.061 1.344 . . . . 0.0 110.733 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.36 34.7 6.78 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.21 15.83 76.88 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.211 1.862 . . . . 0.0 115.706 -177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -121.58 136.37 54.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.312 1.845 . . . . 0.0 110.323 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 mt -77.99 127.43 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.563 0.696 . . . . 0.0 109.747 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' HB3' HG21 ' A' ' 23' ' ' VAL . 30.3 mt -66.66 116.87 8.06 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.236 1.814 . . . . 0.0 110.36 177.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -69.88 124.63 24.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.175 0.99 . . . . 0.0 111.309 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.44 -50.12 42.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.253 1.821 . . . . 0.0 114.462 -172.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.38 -14.55 59.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.702 1.201 . . . . 0.0 113.941 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.2 m -79.66 146.7 32.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.851 1.26 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.97 159.03 31.28 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.49 -32.49 70.03 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.089 -1.007 . . . . 0.0 113.51 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -57.98 -25.93 61.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.785 1.234 . . . . 0.0 114.033 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -66.13 -18.3 65.26 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.779 1.232 . . . . 0.0 113.785 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -113.4 -3.28 13.78 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.635 1.574 . . . . 0.0 112.731 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 43.51 43.29 4.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.986 2.514 . . . . 0.0 113.654 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.2 mt -59.97 139.71 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.251 1.421 . . . . 0.0 109.345 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -109.01 158.65 17.52 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.482 1.113 . . . . 0.0 111.627 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -70.65 -39.86 73.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.004 0.921 . . . . 0.0 112.689 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -80.11 -31.65 39.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.099 1.36 . . . . 0.0 112.774 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -75.26 169.21 18.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.034 0.534 . . . . 0.0 110.872 170.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -116.27 149.22 39.58 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.883 0.873 . . . . 0.0 113.174 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.77 157.6 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.288 1.835 . . . . 0.0 108.549 169.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.7 t -105.36 129.09 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 121.859 -0.526 . . . . 0.0 110.097 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.1 p -115.25 137.18 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.393 1.477 . . . . 0.0 110.272 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.11 163.07 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.383 1.473 . . . . 0.0 111.055 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.469 0.494 0 C-N-CA 125.091 1.356 . . . . 0.0 108.921 177.169 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 111.416 0.154 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.36 -40.02 95.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.586 0.754 . . . . 0.0 112.91 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -65.83 -44.46 85.47 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.513 -0.742 . . . . 0.0 112.101 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -62.04 -42.3 99.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.564 0.746 . . . . 0.0 112.147 174.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.62 -52.05 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.32 1.048 . . . . 0.0 110.764 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.8 76.46 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.898 1.227 . . . . 0.0 112.841 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -61.63 -49.16 77.69 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.605 -0.684 . . . . 0.0 111.439 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.19 76.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.137 0.975 . . . . 0.0 113.411 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 46.4 mtt -56.07 -59.8 4.39 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.126 1.37 . . . . 0.0 110.898 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -54.28 -40.92 68.31 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.55 0.74 . . . . 0.0 112.361 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 39.8 ttp -61.64 -48.76 79.38 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.671 0.669 . . . . 0.0 112.159 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 172.833 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 121.574 0.702 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -85.99 76.44 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 125.045 1.338 . . . . 0.0 111.631 -172.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.26 131.78 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.109 1.363 . . . . 0.0 109.904 173.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.6 m -79.99 134.83 36.27 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.859 -0.526 . . . . 0.0 109.676 169.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.59 150.87 26.9 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.381 1.472 . . . . 0.0 110.938 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -138.84 133.74 32.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.698 1.599 . . . . 0.0 111.707 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 p -91.85 168.82 11.17 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.36 1.464 . . . . 0.0 112.467 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' B' ' 290' ' ' ALA . 31.4 mt -66.66 -23.96 66.22 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -78.8 8.25 5.76 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.526 1.53 . . . . 0.0 112.06 169.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 57.01 28.1 14.29 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.73 2.412 . . . . 0.0 114.118 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -89.28 151.59 22.03 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.403 1.081 . . . . 0.0 109.441 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.0 p -131.73 142.21 49.73 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.9 0.857 . . . . 0.0 113.032 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -144.46 -178.5 6.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.02 2.128 . . . . 0.0 110.331 -172.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.35 149.42 52.56 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.136 -0.978 . . . . 0.0 111.917 171.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mm -133.67 110.37 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.785 2.034 . . . . 0.0 108.968 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -77.7 93.86 4.34 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.422 0.63 . . . . 0.0 110.753 170.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.3 tp -110.71 147.79 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.522 1.929 . . . . 0.0 111.346 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -76.77 116.21 54.83 Favored Pre-proline 0 CA--C 1.554 1.133 0 O-C-N 121.055 -1.028 . . . . 0.0 111.13 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.29 -13.29 25.56 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.294 2.663 . . . . 0.0 114.852 -173.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.85 -15.37 48.44 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.488 1.04 . . . . 0.0 112.64 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -77.48 173.86 11.5 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.375 1.084 . . . . 0.0 112.02 170.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 49.4 p -88.51 172.91 8.99 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 122.144 0.973 . . . . 0.0 113.331 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 53' ' ' LEU . 73.5 t -57.51 -30.68 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.431 1.092 . . . . 0.0 111.788 174.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -59.07 -33.46 70.83 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.92 -1.113 . . . . 0.0 113.196 172.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.52 -38.48 71.09 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.011 0.823 . . . . 0.0 112.853 172.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.8 tp -54.18 -54.12 44.14 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.395 -1.44 . . . . 0.0 110.399 169.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -51.88 -42.78 62.93 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.107 1.363 . . . . 0.0 113.511 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -46.41 89.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.155 0.982 . . . . 0.0 112.553 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.52 -41.02 96.65 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.49 0.716 . . . . 0.0 111.907 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.64 -48.78 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.876 0.87 . . . . 0.0 110.819 174.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.46 -46.02 89.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.198 0.599 . . . . 0.0 111.542 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.1 t -58.26 -48.21 81.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.62 1.168 . . . . 0.0 112.532 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.79 -58.62 4.7 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.151 1.38 . . . . 0.0 112.832 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -81.84 -17.1 48.62 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.26 148.99 21.39 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 127.063 2.268 . . . . 0.0 112.863 -174.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -62.19 -27.79 69.22 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.571 1.148 . . . . 0.0 113.149 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -66.45 -35.02 79.25 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.496 1.118 . . . . 0.0 112.673 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.37 -49.8 6.15 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.512 1.125 . . . . 0.0 112.37 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -136.33 74.36 54.81 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.874 1.269 . . . . 0.0 111.618 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.44 142.93 50.74 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 122.58 2.186 . . . . 0.0 109.848 173.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.46 -44.08 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.721 -1.237 . . . . 0.0 111.39 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.25 -18.74 63.88 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.49 -22.41 5.8 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.867 1.698 . . . . 0.0 114.644 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -64.34 148.1 51.09 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.709 1.204 . . . . 0.0 113.135 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -134.64 145.63 48.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 127.637 2.375 . . . . 0.0 107.587 168.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.51 123.88 34.67 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 126.352 1.861 . . . . 0.0 110.091 -169.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mp -131.46 125.86 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.695 1.198 . . . . 0.0 110.39 -171.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -130.34 141.56 50.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.827 1.251 . . . . 0.0 111.306 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.56 27.18 1.38 Allowed 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.62 82.82 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.552 2.025 . . . . 0.0 116.072 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -121.7 138.49 54.33 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.134 1.467 . . . . 0.0 111.831 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -72.76 125.49 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.763 0.825 . . . . 0.0 109.896 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.421 ' HB3' HG21 ' A' ' 23' ' ' VAL . 31.9 mt -68.08 118.22 10.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.393 1.877 . . . . 0.0 110.726 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -68.52 127.07 31.66 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.893 0.877 . . . . 0.0 111.327 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -56.26 -41.01 75.11 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -170.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.87 -12.31 57.52 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.876 1.27 . . . . 0.0 113.76 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.4 m -82.29 148.1 28.53 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.92 1.288 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.509 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -77.12 156.82 31.39 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.736 1.014 . . . . 0.0 113.736 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.64 -31.15 71.65 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.34 -0.85 . . . . 0.0 112.75 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -47.61 -40.8 20.42 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.778 2.031 . . . . 0.0 113.2 170.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.99 -21.19 66.81 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.419 1.487 . . . . 0.0 114.095 -173.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -110.45 -1.0 17.25 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.913 1.685 . . . . 0.0 112.534 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 mptt 48.26 36.83 7.38 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.897 2.479 . . . . 0.0 113.686 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.25 133.68 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.432 1.493 . . . . 0.0 109.841 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.0 159.13 15.79 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.217 1.007 . . . . 0.0 111.458 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.14 -42.58 75.79 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.366 -0.834 . . . . 0.0 112.657 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -75.81 -33.93 60.13 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.905 1.282 . . . . 0.0 112.913 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -79.0 167.33 21.26 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.196 0.598 . . . . 0.0 110.962 172.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -114.19 144.31 43.41 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.59 155.77 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.935 1.694 . . . . 0.0 107.69 168.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.5 t -106.66 130.06 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.684 -0.635 . . . . 0.0 110.006 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.51 134.9 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.445 1.498 . . . . 0.0 110.242 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.5 ptm -133.24 167.16 20.87 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.993 1.317 . . . . 0.0 111.177 169.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 125.001 1.32 . . . . 0.0 109.276 178.392 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.09 -39.41 93.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.137 0.975 . . . . 0.0 113.058 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -67.63 -42.67 81.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.293 -0.879 . . . . 0.0 112.334 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -60.74 -43.2 98.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.914 0.886 . . . . 0.0 111.421 173.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 48.9 mt -57.6 -52.65 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.498 1.119 . . . . 0.0 111.421 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.86 -33.08 73.54 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.705 1.139 . . . . 0.0 113.513 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -61.98 -48.87 78.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.596 1.159 . . . . 0.0 111.266 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 290' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -55.6 -44.17 76.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.931 0.892 . . . . 0.0 113.202 171.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 49.2 mtt -56.78 -56.36 22.55 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.899 1.28 . . . . 0.0 111.814 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -54.85 -40.33 69.52 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.727 0.811 . . . . 0.0 112.693 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.9 -54.04 47.4 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.917 0.78 . . . . 0.0 111.965 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ptm . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.762 0.315 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -87.59 80.35 8.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.138 0.975 . . . . 0.0 111.137 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.11 123.82 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.981 0.912 . . . . 0.0 109.279 173.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.3 m -79.32 139.41 37.82 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.042 0.448 . . . . 0.0 109.844 170.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.6 mt -116.47 153.99 31.16 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 125.615 1.566 . . . . 0.0 111.382 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -133.79 130.6 38.22 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 126.065 1.746 . . . . 0.0 109.986 169.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 p -87.28 169.11 12.59 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.823 1.249 . . . . 0.0 111.667 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -70.22 -18.68 63.17 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.047 -1.033 . . . . 0.0 113.42 171.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -81.92 5.24 19.66 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.263 1.425 . . . . 0.0 111.756 169.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 58.97 28.88 18.23 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.989 2.516 . . . . 0.0 114.454 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -86.36 153.6 21.82 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.881 0.872 . . . . 0.0 108.976 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 p -133.55 140.71 47.34 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.514 -0.741 . . . . 0.0 112.711 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -144.78 171.56 14.24 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.568 1.947 . . . . 0.0 110.789 -172.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -125.6 143.34 51.06 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.553 1.141 . . . . 0.0 111.408 169.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mm -130.66 111.62 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.551 1.94 . . . . 0.0 109.245 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -73.59 97.44 2.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.299 0.64 . . . . 0.0 111.008 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.429 HD12 ' H ' ' A' ' 18' ' ' ASP . 6.2 tp -109.8 147.07 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 126.388 1.875 . . . . 0.0 112.126 -175.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.429 ' H ' HD12 ' A' ' 17' ' ' ILE . 12.0 m-20 -78.01 111.48 18.51 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.172 1.789 . . . . 0.0 111.182 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.4 -21.55 35.02 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.131 2.554 . . . . 0.0 114.025 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.77 -16.66 61.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.809 1.244 . . . . 0.0 112.889 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -86.35 179.0 6.97 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.84 1.256 . . . . 0.0 111.705 170.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 47.8 p -94.43 176.32 6.34 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 53' ' ' LEU . 71.3 t -59.79 -33.46 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 121.061 -1.024 . . . . 0.0 111.496 171.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.85 -31.86 70.15 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.159 -0.963 . . . . 0.0 112.397 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.76 -35.38 65.0 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -55.19 -54.06 48.09 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.675 -1.266 . . . . 0.0 109.499 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -50.67 -44.91 57.85 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.335 1.454 . . . . 0.0 113.735 169.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -41.59 99.0 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.99 1.268 . . . . 0.0 113.173 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -65.51 -39.88 92.36 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.695 1.198 . . . . 0.0 111.876 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.1 -49.83 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.392 1.077 . . . . 0.0 110.722 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.94 -42.57 85.18 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.095 0.861 . . . . 0.0 111.61 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -61.25 -44.28 97.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.513 1.525 . . . . 0.0 112.855 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.01 -57.66 3.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.603 1.161 . . . . 0.0 112.74 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -80.44 -18.46 48.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.706 1.603 . . . . 0.0 113.923 -171.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.52 134.26 5.73 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 126.527 2.013 . . . . 0.0 113.555 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -56.18 -22.0 26.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.914 2.486 . . . . 0.0 114.619 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.5 -29.85 69.34 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.865 1.266 . . . . 0.0 113.386 171.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.99 -36.3 3.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.107 1.363 . . . . 0.0 113.18 -173.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -134.5 68.72 72.79 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.65 1.58 . . . . 0.0 111.59 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.57 144.93 51.08 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.561 2.174 . . . . 0.0 110.676 174.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.4 t -52.22 -43.71 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.648 1.179 . . . . 0.0 111.284 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.61 -15.0 62.31 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.63 -23.46 4.37 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.243 1.402 . . . . 0.0 114.911 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.61 144.86 56.69 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.855 1.328 . . . . 0.0 113.339 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -130.34 143.98 51.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.457 1.903 . . . . 0.0 108.315 168.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 123.49 38.4 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.305 1.842 . . . . 0.0 110.256 -169.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.85 128.89 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.752 1.221 . . . . 0.0 111.007 -170.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -131.67 140.99 49.48 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.676 1.19 . . . . 0.0 111.482 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.79 33.08 4.05 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.21 18.2 79.74 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 126.608 2.051 . . . . 0.0 115.525 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -128.65 129.88 46.46 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.388 1.875 . . . . 0.0 110.761 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -67.81 126.11 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 121.429 0.633 . . . . 0.0 110.339 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HB3' HG21 ' A' ' 23' ' ' VAL . 30.7 mt -67.21 119.64 12.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.118 1.767 . . . . 0.0 110.248 175.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -68.88 126.17 28.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.578 0.751 . . . . 0.0 111.259 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.64 -49.42 65.2 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.842 1.657 . . . . 0.0 113.965 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.98 -13.5 60.24 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.237 1.415 . . . . 0.0 113.909 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.0 m -81.68 146.51 29.99 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.23 . . . . 0.0 110.795 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.59 158.26 31.28 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.84 -29.59 66.89 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.098 -1.001 . . . . 0.0 113.205 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.11 -21.27 61.33 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.173 1.389 . . . . 0.0 113.935 173.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -73.01 -14.59 61.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.053 1.341 . . . . 0.0 113.673 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -119.24 -4.05 10.52 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.309 1.443 . . . . 0.0 113.297 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 46.92 37.12 4.55 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.876 2.47 . . . . 0.0 114.166 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.3 mt -59.5 141.26 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.686 1.594 . . . . 0.0 110.31 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -103.66 163.81 12.08 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.237 1.415 . . . . 0.0 111.978 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -85.25 -39.52 17.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.394 1.078 . . . . 0.0 112.908 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -76.2 -39.33 54.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.717 1.607 . . . . 0.0 111.969 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -76.31 164.46 26.01 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.859 1.264 . . . . 0.0 110.589 171.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -116.36 147.87 41.17 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -175.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.99 165.17 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 127.866 2.467 . . . . 0.0 107.97 169.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.8 t -111.81 126.81 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.161 -0.962 . . . . 0.0 111.026 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.63 136.69 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.389 1.476 . . . . 0.0 109.726 171.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -137.76 169.96 16.89 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.037 1.335 . . . . 0.0 111.153 170.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.467 0.418 0 C-N-CA 124.642 1.177 . . . . 0.0 109.686 177.226 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.06 -35.65 79.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.128 0.971 . . . . 0.0 113.243 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -73.4 -42.4 62.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.221 1.008 . . . . 0.0 111.406 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.36 -43.37 92.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.061 0.944 . . . . 0.0 111.647 171.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 53.3 mt -58.36 -53.63 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.67 1.188 . . . . 0.0 110.94 171.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.88 75.87 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 120.115 1.325 . . . . 0.0 113.413 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -61.55 -45.93 92.06 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.461 1.104 . . . . 0.0 111.668 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.84 81.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.897 0.879 . . . . 0.0 112.851 171.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 44.5 mtt -55.59 -52.04 65.11 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.269 1.428 . . . . 0.0 111.61 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -55.66 -45.53 77.68 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.62 0.768 . . . . 0.0 112.624 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.8 mtm -64.37 -44.1 92.45 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.863 0.756 . . . . 0.0 112.202 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 36.5 p . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 178.539 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptm . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.646 0.26 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -86.81 88.24 7.64 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.142 0.977 . . . . 0.0 110.585 -176.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.1 t -68.51 121.14 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.303 1.041 . . . . 0.0 109.067 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.5 m -79.15 141.42 37.26 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 170.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.1 mt -119.5 151.78 38.03 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.803 1.641 . . . . 0.0 111.501 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -132.18 125.35 30.98 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.03 1.732 . . . . 0.0 110.522 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 p -82.94 164.65 20.3 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.289 1.436 . . . . 0.0 111.401 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' B' ' 290' ' ' ALA . 34.7 mt -70.71 -21.11 62.6 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.19 -0.944 . . . . 0.0 113.319 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -76.15 6.07 5.92 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.256 1.422 . . . . 0.0 112.113 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 65.28 22.86 12.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.934 2.493 . . . . 0.0 113.826 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -89.08 157.11 18.44 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.355 1.062 . . . . 0.0 109.745 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.0 p -133.88 144.57 48.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.741 0.782 . . . . 0.0 112.271 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -146.2 178.0 8.56 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 127.044 2.138 . . . . 0.0 110.282 -172.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -134.08 153.08 52.03 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.088 -1.008 . . . . 0.0 111.853 169.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mm -136.94 114.86 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 126.51 1.924 . . . . 0.0 109.506 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -75.66 109.42 9.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 122.605 0.362 . . . . 0.0 110.509 169.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.0 tp -126.8 151.9 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 127.027 2.131 . . . . 0.0 111.49 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -84.14 121.17 75.48 Favored Pre-proline 0 CA--C 1.555 1.136 0 O-C-N 121.098 -1.001 . . . . 0.0 111.683 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.78 -18.81 31.96 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.29 2.66 . . . . 0.0 115.277 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.27 -20.88 56.95 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.243 0.929 . . . . 0.0 111.943 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.28 178.77 8.06 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.707 1.203 . . . . 0.0 111.825 169.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 42.1 p -101.18 176.22 5.33 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -169.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 53' ' ' LEU . 94.8 t -59.01 -34.18 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.698 0.799 . . . . 0.0 111.059 170.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.65 -31.82 71.95 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.14 -0.975 . . . . 0.0 112.754 171.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.82 64.58 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.506 1.048 . . . . 0.0 112.894 171.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 tp -54.74 -52.72 61.62 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.69 -1.256 . . . . 0.0 109.78 169.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -51.07 -45.54 61.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.768 1.227 . . . . 0.0 113.379 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -43.17 93.05 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.776 1.171 . . . . 0.0 112.505 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -65.51 -43.02 91.41 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.608 0.763 . . . . 0.0 112.885 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.93 -48.68 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.447 0.699 . . . . 0.0 110.401 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -46.36 88.87 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.512 1.125 . . . . 0.0 111.507 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 t -56.75 -46.71 81.23 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.885 1.674 . . . . 0.0 112.575 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.98 -56.56 4.8 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.19 1.396 . . . . 0.0 112.647 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -85.82 -17.51 35.51 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.828 1.251 . . . . 0.0 114.046 -170.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.96 149.35 23.98 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 127.16 2.314 . . . . 0.0 113.457 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -63.04 -25.68 68.49 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.939 1.295 . . . . 0.0 113.165 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -65.68 -28.84 69.37 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.57 1.148 . . . . 0.0 112.932 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.6 -48.16 4.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.901 1.28 . . . . 0.0 112.234 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.97 73.27 46.14 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.304 1.442 . . . . 0.0 111.832 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -71.77 147.49 50.55 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.666 2.244 . . . . 0.0 110.731 173.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.1 t -53.94 -47.27 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 C-N-CA 124.883 1.273 . . . . 0.0 112.765 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.9 76.74 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.21 -36.89 26.23 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.681 1.134 . . . . 0.0 113.145 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -55.14 151.8 8.8 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.238 1.015 . . . . 0.0 113.259 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -140.93 151.54 44.3 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.927 2.491 . . . . 0.0 107.415 168.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.19 121.12 22.07 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.716 1.606 . . . . 0.0 110.006 -169.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.64 123.21 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.821 1.248 . . . . 0.0 110.844 -169.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -132.38 147.73 52.39 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.97 1.308 . . . . 0.0 111.613 173.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.63 24.39 1.65 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.796 1.239 . . . . 0.0 114.284 -174.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.97 18.12 79.58 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.932 1.729 . . . . 0.0 115.695 -173.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -126.08 137.8 53.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.365 1.866 . . . . 0.0 111.229 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -71.12 126.54 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.458 0.703 . . . . 0.0 110.758 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HB3' HG21 ' A' ' 23' ' ' VAL . 31.2 mt -72.38 133.73 45.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.804 1.642 . . . . 0.0 111.045 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -73.88 124.42 26.1 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.805 0.842 . . . . 0.0 111.973 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.51 -46.32 27.31 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.833 1.653 . . . . 0.0 113.971 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.46 -12.31 52.21 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.397 1.479 . . . . 0.0 114.476 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.1 m -83.2 141.62 31.78 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.858 -1.151 . . . . 0.0 110.726 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.94 150.79 40.61 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.92 -34.64 78.43 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.296 -0.877 . . . . 0.0 112.965 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -55.23 -25.1 31.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.451 1.5 . . . . 0.0 114.619 172.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.87 -20.66 61.77 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.512 1.125 . . . . 0.0 113.082 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -105.89 -6.28 19.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.006 1.723 . . . . 0.0 112.929 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.62 43.48 4.76 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.144 2.578 . . . . 0.0 114.137 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.5 mt -58.25 140.65 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.78 1.632 . . . . 0.0 109.156 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -115.69 141.81 47.58 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.396 1.078 . . . . 0.0 111.936 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.44 -25.52 67.27 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.123 0.969 . . . . 0.0 112.522 175.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -66.4 -21.61 66.22 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.307 2.243 . . . . 0.0 114.254 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -118.56 176.74 5.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.941 1.697 . . . . 0.0 111.225 -174.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -115.98 150.99 36.29 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.98 0.912 . . . . 0.0 112.618 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.76 163.05 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 127.15 2.18 . . . . 0.0 108.709 169.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.3 t -107.34 123.56 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.606 -0.684 . . . . 0.0 110.271 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.19 139.5 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.341 1.456 . . . . 0.0 109.656 172.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.8 ptm -139.75 167.85 21.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.398 1.079 . . . . 0.0 111.096 169.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 CA--C 1.533 0.295 0 C-N-CA 124.424 1.09 . . . . 0.0 110.498 179.315 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.7 -40.54 88.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.502 0.721 . . . . 0.0 112.344 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -67.78 -40.07 84.0 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.469 -0.769 . . . . 0.0 112.276 175.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -59.69 -45.36 92.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.557 1.143 . . . . 0.0 111.713 171.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 46.5 mt -57.42 -51.89 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.894 0.877 . . . . 0.0 111.004 171.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.08 -34.41 76.24 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.913 -1.117 . . . . 0.0 113.491 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -62.94 -43.15 99.59 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.112 -0.993 . . . . 0.0 111.937 170.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 290' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -57.81 -46.22 84.99 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.822 0.849 . . . . 0.0 112.306 171.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 47.8 mtt -57.66 -44.4 85.68 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.598 1.159 . . . . 0.0 112.115 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -62.14 -47.12 85.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.042 0.837 . . . . 0.0 112.724 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 62.2 mtm -61.53 -40.22 93.87 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.832 0.742 . . . . 0.0 112.014 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 CA--C 1.54 0.577 0 C-N-CA 124.826 1.25 . . . . 0.0 112.826 171.741 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ptm . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -94.96 74.14 3.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.353 1.061 . . . . 0.0 111.148 -170.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.31 134.25 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.537 1.535 . . . . 0.0 109.691 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 m -79.86 131.22 35.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 169.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.34 148.37 26.46 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 126.408 1.883 . . . . 0.0 110.207 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -138.18 124.71 20.76 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.507 1.523 . . . . 0.0 111.167 173.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -81.94 168.32 18.01 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.316 1.046 . . . . 0.0 111.859 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' B' ' 290' ' ' ALA . 57.3 mt -68.44 -21.82 64.63 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.022 -1.049 . . . . 0.0 113.541 170.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -77.35 5.06 9.37 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.743 1.217 . . . . 0.0 111.783 169.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 63.75 26.23 14.39 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.265 2.626 . . . . 0.0 113.861 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -89.12 144.1 26.37 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.442 1.097 . . . . 0.0 109.933 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.7 p -132.63 136.41 46.48 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 122.139 0.971 . . . . 0.0 113.432 -171.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -150.63 177.87 9.63 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 128.082 2.553 . . . . 0.0 109.884 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -108.59 155.33 20.79 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.102 -0.999 . . . . 0.0 113.396 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.5 mm -128.48 112.03 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 127.263 2.225 . . . . 0.0 108.588 171.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -76.53 105.58 7.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.937 0.495 . . . . 0.0 110.323 169.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tp -124.11 153.37 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 126.231 1.812 . . . . 0.0 111.623 -174.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -85.23 124.8 71.51 Favored Pre-proline 0 CA--C 1.555 1.16 0 O-C-N 121.078 -1.014 . . . . 0.0 111.872 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.26 -22.01 26.09 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.38 2.72 . . . . 0.0 115.51 -175.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -79.99 -21.01 44.16 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.242 0.928 . . . . 0.0 111.855 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -74.91 170.59 15.65 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.21 1.005 . . . . 0.0 110.783 169.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 32.9 p -92.84 175.61 6.74 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 122.285 1.041 . . . . 0.0 113.58 -173.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.426 HG21 ' HB3' ' A' ' 53' ' ' LEU . 81.2 t -58.99 -30.78 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.793 0.837 . . . . 0.0 111.565 173.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -60.1 -32.27 70.82 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.072 -1.017 . . . . 0.0 112.811 170.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.59 -36.06 62.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.181 0.9 . . . . 0.0 112.826 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.24 -54.14 47.22 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.675 -1.266 . . . . 0.0 109.526 169.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -50.18 -45.87 53.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.856 1.262 . . . . 0.0 113.547 169.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -44.07 93.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.738 1.154 . . . . 0.0 112.757 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -69.9 -36.14 75.18 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.436 0.694 . . . . 0.0 112.404 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.52 -50.95 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.908 0.883 . . . . 0.0 110.569 169.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.85 -41.02 85.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.546 0.738 . . . . 0.0 111.419 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.5 m -62.91 -44.41 96.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.605 1.162 . . . . 0.0 112.834 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.34 -54.02 12.21 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.8 1.24 . . . . 0.0 112.42 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -89.98 -16.16 30.44 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.43 1.492 . . . . 0.0 114.085 -170.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.89 154.49 21.8 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.046 2.26 . . . . 0.0 113.221 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -60.84 -26.58 67.45 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.061 0.944 . . . . 0.0 113.083 173.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -60.88 -36.69 79.88 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.736 1.214 . . . . 0.0 112.447 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.24 -52.3 4.88 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.642 1.177 . . . . 0.0 112.086 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -141.13 78.62 18.89 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.908 1.283 . . . . 0.0 112.532 -169.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.39 139.73 29.27 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.044 2.496 . . . . 0.0 110.191 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.7 t -50.64 -47.44 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.705 -1.247 . . . . 0.0 112.469 -176.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -25.22 67.74 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.69 -28.3 9.01 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.052 1.311 . . . . 0.0 113.937 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -58.31 156.18 10.44 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.863 1.265 . . . . 0.0 113.287 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -141.02 148.62 40.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.913 2.485 . . . . 0.0 107.294 167.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.23 120.81 25.05 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 126.231 1.813 . . . . 0.0 109.416 -169.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.69 127.95 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.719 1.208 . . . . 0.0 110.797 -169.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -133.67 143.1 48.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.215 1.406 . . . . 0.0 111.07 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.58 29.68 3.15 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.0 13.97 82.81 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 126.791 2.139 . . . . 0.0 115.833 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -128.57 136.28 50.51 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.161 1.784 . . . . 0.0 111.715 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -70.47 129.45 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.488 0.715 . . . . 0.0 110.808 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.426 ' HB3' HG21 ' A' ' 23' ' ' VAL . 31.2 mt -73.59 128.03 34.37 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.111 1.765 . . . . 0.0 111.016 176.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -69.88 122.87 20.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.119 0.968 . . . . 0.0 111.713 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -47.75 -41.3 22.78 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.066 1.746 . . . . 0.0 114.574 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.25 -14.63 35.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.363 1.465 . . . . 0.0 113.891 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.9 m -84.47 145.56 28.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.328 1.051 . . . . 0.0 110.79 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.71 154.91 36.14 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.24 -33.06 74.9 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.356 -0.84 . . . . 0.0 113.043 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -51.77 -34.58 40.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.562 1.545 . . . . 0.0 113.059 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.02 -16.58 64.1 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.439 1.496 . . . . 0.0 113.879 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -109.22 -4.01 16.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.986 1.715 . . . . 0.0 112.948 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 48.58 36.16 7.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.54 2.336 . . . . 0.0 114.087 177.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.23 136.22 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.487 1.515 . . . . 0.0 110.152 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -100.6 156.46 17.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.242 1.017 . . . . 0.0 112.141 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -81.42 -24.9 36.59 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.872 0.869 . . . . 0.0 113.25 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -84.02 -37.67 21.88 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.699 1.6 . . . . 0.0 112.08 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -74.95 172.18 12.74 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.384 1.074 . . . . 0.0 111.526 172.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -117.54 150.3 39.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.459 1.104 . . . . 0.0 113.367 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.12 155.35 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 127.251 2.22 . . . . 0.0 108.234 169.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.9 t -105.96 131.33 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.71 -0.619 . . . . 0.0 110.048 174.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -116.95 138.35 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.38 1.472 . . . . 0.0 110.343 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -140.34 171.15 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.497 1.519 . . . . 0.0 111.09 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 CA--C 1.537 0.451 0 C-N-CA 125.329 1.452 . . . . 0.0 108.867 172.131 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.3 -43.0 82.79 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.805 0.842 . . . . 0.0 112.858 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.09 -32.57 70.7 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.753 1.16 . . . . 0.0 112.681 174.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -63.34 -43.9 96.41 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.115 0.87 . . . . 0.0 111.106 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 53.2 mt -59.98 -49.51 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.905 1.282 . . . . 0.0 111.051 169.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.87 75.74 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.824 -1.172 . . . . 0.0 113.433 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.54 -43.71 98.36 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.292 1.037 . . . . 0.0 111.645 169.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 290' ' ' ALA . . . . . 0.448 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -59.15 -47.47 85.19 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.244 1.018 . . . . 0.0 112.898 171.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 46.2 mtt -54.37 -55.1 31.96 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 125.461 1.504 . . . . 0.0 111.281 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -49.64 -47.77 49.7 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.396 1.079 . . . . 0.0 112.679 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 78.6 mtm -59.53 -54.24 48.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.872 0.76 . . . . 0.0 112.319 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 177.657 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -85.28 85.85 7.42 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.465 1.106 . . . . 0.0 111.078 -174.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.25 116.51 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.32 1.048 . . . . 0.0 109.14 171.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.0 m -79.08 140.47 37.86 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.817 -0.552 . . . . 0.0 109.63 170.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.6 mt -116.88 151.14 37.21 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 111.374 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -132.75 138.14 47.08 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.549 1.94 . . . . 0.0 110.198 169.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 p -99.82 167.2 10.68 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.508 1.123 . . . . 0.0 112.127 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.09 -24.08 67.34 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.765 0.826 . . . . 0.0 113.055 170.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -81.33 6.47 14.22 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.69 1.596 . . . . 0.0 112.796 171.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 64.81 23.72 12.72 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.015 2.126 . . . . 0.0 113.722 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -88.92 156.72 18.73 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.482 1.113 . . . . 0.0 109.446 173.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.5 p -135.24 143.84 46.55 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.713 0.768 . . . . 0.0 112.437 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -146.16 178.13 8.46 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.137 2.175 . . . . 0.0 110.193 -175.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -133.54 151.82 51.8 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.019 -1.051 . . . . 0.0 112.008 169.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -134.15 110.56 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 126.713 2.005 . . . . 0.0 108.794 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -73.6 107.35 5.82 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -124.45 152.66 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 127.168 2.187 . . . . 0.0 110.559 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -74.81 114.75 37.65 Favored Pre-proline 0 CA--C 1.55 0.971 0 O-C-N 121.039 -1.038 . . . . 0.0 111.212 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.52 -21.92 29.3 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.855 2.37 . . . . 0.0 113.54 -173.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -67.95 -22.44 65.04 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.328 1.051 . . . . 0.0 112.875 169.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -81.75 -177.92 6.76 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 122.542 1.163 . . . . 0.0 111.75 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 46.5 p -97.16 173.71 7.1 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -169.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.432 HG21 ' HB3' ' A' ' 53' ' ' LEU . 74.0 t -59.36 -39.42 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.413 1.085 . . . . 0.0 110.675 169.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -59.14 -38.2 79.1 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.96 1.304 . . . . 0.0 112.62 170.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.46 94.43 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.309 0.959 . . . . 0.0 113.005 170.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.49 -53.13 58.45 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.699 -1.25 . . . . 0.0 110.888 169.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -53.64 -40.57 65.95 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -49.59 68.73 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.497 1.519 . . . . 0.0 111.936 170.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -69.73 -36.87 76.22 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.743 1.217 . . . . 0.0 112.378 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.35 -51.35 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.779 1.231 . . . . 0.0 110.506 169.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.34 -44.61 84.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.205 1.002 . . . . 0.0 111.626 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -57.46 -50.17 73.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.078 1.351 . . . . 0.0 112.615 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -69.9 -54.31 14.01 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.266 1.026 . . . . 0.0 113.085 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -84.73 -18.86 33.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.966 1.307 . . . . 0.0 114.176 -170.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.38 148.12 21.16 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 127.083 2.278 . . . . 0.0 113.412 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.49 -31.19 71.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.094 1.358 . . . . 0.0 113.516 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -65.58 -35.62 81.35 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.064 0.945 . . . . 0.0 112.614 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.18 -49.94 6.95 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.532 1.133 . . . . 0.0 112.168 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -138.56 77.49 34.02 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.084 1.353 . . . . 0.0 111.643 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.25 148.46 55.58 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.697 2.265 . . . . 0.0 110.418 173.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.68 -45.0 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 124.203 1.001 . . . . 0.0 112.707 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.08 81.28 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.17 -39.33 58.26 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.272 0.939 . . . . 0.0 112.779 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -53.35 141.28 24.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.35 1.06 . . . . 0.0 112.897 172.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -130.0 151.79 50.17 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.643 1.977 . . . . 0.0 108.689 169.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.58 114.65 15.72 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.013 1.725 . . . . 0.0 109.842 -169.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.48 124.62 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.696 1.198 . . . . 0.0 110.353 -170.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.452 ' HB3' HD21 ' A' ' 53' ' ' LEU . 13.1 t80 -131.87 147.4 52.47 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.767 1.227 . . . . 0.0 111.789 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.87 28.39 3.69 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.84 12.92 82.16 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.607 2.051 . . . . 0.0 115.845 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -133.67 140.58 47.15 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.126 1.771 . . . . 0.0 112.227 -178.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -70.41 128.3 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.6 -0.688 . . . . 0.0 110.344 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 48' ' ' TYR . 39.0 mt -72.05 137.62 47.28 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.433 1.493 . . . . 0.0 110.998 176.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -72.83 123.4 23.31 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.536 -0.727 . . . . 0.0 111.067 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -53.43 -41.23 65.85 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -173.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -85.41 -9.93 56.89 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.136 0.974 . . . . 0.0 113.61 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.5 m -85.14 147.64 26.52 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.207 1.403 . . . . 0.0 110.919 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.87 156.9 37.22 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.93 -36.9 84.64 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -64.8 -19.53 65.88 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.285 1.434 . . . . 0.0 114.048 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.76 -18.83 65.61 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.461 1.104 . . . . 0.0 113.45 173.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -113.28 1.54 15.22 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.804 1.642 . . . . 0.0 112.479 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 47.31 36.73 5.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 128.027 2.531 . . . . 0.0 114.06 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.7 mt -56.97 136.27 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.784 1.233 . . . . 0.0 109.312 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -115.9 157.76 24.01 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.114 1.366 . . . . 0.0 111.34 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.64 -23.79 58.73 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.99 -34.85 20.7 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.695 1.198 . . . . 0.0 113.164 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -77.96 174.17 11.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.368 1.067 . . . . 0.0 111.23 172.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -125.3 152.36 44.78 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.62 162.46 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 127.048 2.139 . . . . 0.0 109.177 169.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.2 t -105.12 128.29 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.516 -0.74 . . . . 0.0 110.834 170.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.73 134.91 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 125.765 1.626 . . . . 0.0 109.836 170.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -137.46 168.92 18.68 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.791 1.237 . . . . 0.0 110.686 169.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 CA--C 1.536 0.404 0 C-N-CA 124.365 1.066 . . . . 0.0 110.427 178.39 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.39 -29.81 70.56 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.743 0.817 . . . . 0.0 113.103 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -78.03 -36.81 48.18 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.203 -0.936 . . . . 0.0 111.892 174.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -59.08 -45.42 90.87 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.553 0.741 . . . . 0.0 110.285 170.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 48.5 mt -57.84 -51.54 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.261 1.424 . . . . 0.0 111.437 170.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.59 73.09 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.052 1.296 . . . . 0.0 113.549 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -61.78 -46.64 88.68 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.465 -0.772 . . . . 0.0 111.667 170.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.81 86.94 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 171.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 43.7 mtt -55.45 -57.17 13.01 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.608 1.163 . . . . 0.0 110.65 174.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -53.19 -47.62 68.71 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.233 0.924 . . . . 0.0 112.754 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 67.2 mtm -60.41 -49.15 78.7 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.413 -0.804 . . . . 0.0 112.375 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 179.379 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -111.97 75.55 0.92 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.559 1.144 . . . . 0.0 109.819 -174.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.34 151.17 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.92 1.288 . . . . 0.0 112.36 -178.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.6 m -91.88 138.45 31.54 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 168.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.63 152.87 32.31 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.686 1.994 . . . . 0.0 110.395 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -137.42 141.71 41.65 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.864 1.666 . . . . 0.0 111.458 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 p -106.07 164.33 12.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.548 1.539 . . . . 0.0 111.963 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.97 -24.59 65.17 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.249 -0.907 . . . . 0.0 112.972 173.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -74.14 5.19 4.61 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.801 2.041 . . . . 0.0 112.688 171.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 68.17 20.46 8.89 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.065 2.146 . . . . 0.0 113.281 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -89.37 152.76 21.34 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.113 0.965 . . . . 0.0 110.201 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -136.17 138.02 41.52 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.001 0.92 . . . . 0.0 111.563 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -143.28 -179.05 6.17 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.742 2.017 . . . . 0.0 110.348 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -126.87 152.74 46.64 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.041 -1.037 . . . . 0.0 112.13 170.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -133.44 113.48 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.575 1.95 . . . . 0.0 110.188 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -80.95 100.51 8.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.893 1.677 . . . . 0.0 110.994 169.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tp -128.68 157.37 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.773 2.029 . . . . 0.0 111.668 -173.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.89 123.77 77.57 Favored Pre-proline 0 CA--C 1.556 1.183 0 O-C-N 120.917 -1.114 . . . . 0.0 111.833 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.46 -20.73 26.99 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.909 3.073 . . . . 0.0 114.777 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.32 -19.18 34.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.03 0.932 . . . . 0.0 112.205 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -73.6 170.3 15.48 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.189 0.995 . . . . 0.0 111.411 169.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 55.0 p -86.62 170.92 11.41 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -177.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -59.78 -26.62 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.234 -0.916 . . . . 0.0 111.954 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -61.62 -32.02 72.14 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.439 -1.413 . . . . 0.0 112.685 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.8 67.83 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.166 0.894 . . . . 0.0 112.55 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.5 -52.98 62.71 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.617 -1.302 . . . . 0.0 109.445 169.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.6 -45.89 57.64 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -45.34 89.35 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.581 1.082 . . . . 0.0 112.801 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -67.52 -38.26 83.99 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 123.732 0.813 . . . . 0.0 112.952 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.4 mt -60.59 -48.77 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.138 0.881 . . . . 0.0 110.639 171.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -47.12 82.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.323 1.049 . . . . 0.0 111.574 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.9 t -59.54 -50.28 74.51 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.283 1.433 . . . . 0.0 112.548 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -72.18 -47.92 47.15 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.677 1.191 . . . . 0.0 113.228 -174.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -94.9 -13.66 25.23 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.08 1.352 . . . . 0.0 114.099 -171.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.55 138.29 6.27 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 126.546 2.022 . . . . 0.0 112.711 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -65.52 -19.16 65.81 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -61.61 -39.92 92.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.278 1.031 . . . . 0.0 111.992 171.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.03 -49.12 10.6 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.433 1.093 . . . . 0.0 111.688 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -139.18 80.23 23.95 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.13 1.372 . . . . 0.0 112.341 -170.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.74 141.94 28.09 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.042 2.495 . . . . 0.0 110.451 176.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.66 -43.55 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.573 -1.329 . . . . 0.0 112.806 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.73 61.28 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.6 -25.7 8.51 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 125.282 1.42 . . . . 0.0 114.017 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -59.09 146.32 39.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.85 1.26 . . . . 0.0 112.849 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -129.81 149.44 51.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.574 1.95 . . . . 0.0 108.393 168.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.62 120.07 27.32 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.746 1.618 . . . . 0.0 109.167 -173.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.32 121.9 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.888 1.275 . . . . 0.0 110.55 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -133.08 149.07 52.17 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.661 1.184 . . . . 0.0 111.257 173.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.7 28.3 2.59 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.05 22.16 79.28 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 126.98 2.229 . . . . 0.0 116.132 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -135.2 147.8 49.47 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.39 1.595 . . . . 0.0 112.236 170.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -72.63 123.24 26.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 123.591 0.756 . . . . 0.0 109.679 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -67.31 137.41 56.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.298 1.439 . . . . 0.0 110.784 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -68.46 116.25 8.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 170.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -63.93 -23.87 67.51 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -80.86 -7.81 59.55 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.795 1.238 . . . . 0.0 113.608 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.2 m -98.4 151.38 20.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.474 1.51 . . . . 0.0 111.287 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.44 154.91 36.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -172.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.69 -33.85 76.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.844 0.858 . . . . 0.0 111.926 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -52.52 -38.27 59.31 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.653 1.981 . . . . 0.0 113.596 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.53 -34.21 77.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.278 1.031 . . . . 0.0 112.934 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -97.0 -4.06 40.45 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.186 1.394 . . . . 0.0 112.098 -174.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm 53.05 31.36 11.01 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.272 2.629 . . . . 0.0 113.647 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 mt -60.58 133.68 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 126.258 1.823 . . . . 0.0 110.096 -174.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -101.78 153.44 19.81 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.33 1.052 . . . . 0.0 112.263 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.94 -33.57 65.99 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.859 1.264 . . . . 0.0 113.17 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -77.84 -36.23 50.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.381 1.472 . . . . 0.0 112.013 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -77.0 170.96 15.58 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.785 1.634 . . . . 0.0 111.675 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -120.62 142.46 49.39 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -96.12 163.64 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.774 1.63 . . . . 0.0 110.013 169.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.6 t -112.2 130.46 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.551 -0.718 . . . . 0.0 110.534 172.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.6 p -115.53 137.14 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.663 1.585 . . . . 0.0 110.409 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.82 177.67 7.67 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.492 1.517 . . . . 0.0 111.136 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 125.216 1.406 . . . . 0.0 109.79 174.796 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.39 -36.09 78.63 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.241 -0.912 . . . . 0.0 112.895 175.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.32 -37.45 74.72 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.825 -1.172 . . . . 0.0 112.211 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -60.1 -42.91 95.71 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.163 0.985 . . . . 0.0 111.111 171.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 45.0 mt -57.05 -53.86 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.698 1.199 . . . . 0.0 110.871 170.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.68 77.09 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.722 1.147 . . . . 0.0 113.478 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -60.33 -46.39 90.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.86 1.264 . . . . 0.0 111.661 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.75 83.29 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.473 -0.767 . . . . 0.0 112.967 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 50.1 mtt -55.85 -51.67 66.71 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.697 1.199 . . . . 0.0 111.212 175.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -55.55 -44.18 76.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.125 0.97 . . . . 0.0 113.058 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.7 mtm -62.81 -48.81 77.51 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.726 0.694 . . . . 0.0 111.788 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 177.503 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.609 0.719 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -89.63 78.49 6.98 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 125.367 1.467 . . . . 0.0 111.8 -170.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.25 121.73 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.841 1.656 . . . . 0.0 110.285 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.3 m -79.6 140.71 37.04 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.899 -0.5 . . . . 0.0 109.98 169.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 mt -116.45 153.41 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.836 1.655 . . . . 0.0 111.807 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -134.72 133.49 40.01 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.943 1.697 . . . . 0.0 110.523 169.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 p -91.17 166.28 13.04 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.095 1.358 . . . . 0.0 111.617 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' B' ' 290' ' ' ALA . 34.7 mt -70.94 -14.66 62.45 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.177 -0.952 . . . . 0.0 113.262 172.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -86.67 10.58 15.25 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.009 1.724 . . . . 0.0 112.027 169.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 67.91 16.18 9.6 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.053 2.141 . . . . 0.0 113.953 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -89.39 155.53 19.28 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.417 1.087 . . . . 0.0 110.158 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.1 p -136.27 139.55 42.77 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.638 -0.664 . . . . 0.0 112.721 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -142.66 174.15 10.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.549 1.939 . . . . 0.0 110.74 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -131.45 141.34 49.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.391 1.076 . . . . 0.0 111.896 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mm -132.58 111.8 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.692 1.997 . . . . 0.0 109.454 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -76.21 104.37 6.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.856 0.462 . . . . 0.0 110.626 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.9 tp -119.29 150.18 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 126.609 1.964 . . . . 0.0 111.023 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.93 114.5 33.33 Favored Pre-proline 0 CA--C 1.55 0.969 0 O-C-N 121.162 -0.961 . . . . 0.0 111.368 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.27 -16.7 31.39 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.881 2.387 . . . . 0.0 113.564 -175.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -73.91 -18.55 60.89 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.659 1.583 . . . . 0.0 112.906 170.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -87.02 178.1 7.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.829 1.252 . . . . 0.0 111.985 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 42.5 p -91.21 173.37 7.96 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -173.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 53' ' ' LEU . 77.6 t -59.98 -34.02 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.195 0.998 . . . . 0.0 111.459 173.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.75 -34.19 71.12 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.182 -0.949 . . . . 0.0 112.508 171.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.56 -37.59 74.02 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.077 0.853 . . . . 0.0 112.868 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.19 -53.7 52.7 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.575 -1.328 . . . . 0.0 110.082 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -51.37 -43.07 61.77 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -45.57 92.79 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.565 1.075 . . . . 0.0 112.716 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -68.52 -37.56 80.14 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.488 0.715 . . . . 0.0 112.243 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.4 -51.59 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.369 1.067 . . . . 0.0 110.598 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -46.47 79.79 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.489 1.116 . . . . 0.0 111.602 177.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -59.15 -49.16 78.94 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.955 1.302 . . . . 0.0 112.791 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.88 -58.09 4.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.597 1.159 . . . . 0.0 112.813 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.45 -18.75 54.44 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.955 1.302 . . . . 0.0 113.875 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.66 139.21 6.13 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 126.676 2.084 . . . . 0.0 112.135 -171.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -67.08 -17.16 64.76 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.44 -43.88 97.76 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.6 -0.687 . . . . 0.0 111.353 169.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.99 -46.36 14.09 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.549 1.14 . . . . 0.0 112.09 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -138.06 76.19 39.72 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.491 1.516 . . . . 0.0 111.957 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.45 142.3 44.57 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.622 2.215 . . . . 0.0 110.06 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.3 t -51.92 -46.45 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 121.177 -0.952 . . . . 0.0 112.03 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.47 -17.64 64.76 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.28 -26.16 7.49 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.328 1.442 . . . . 0.0 114.136 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -62.58 141.89 58.26 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.561 1.144 . . . . 0.0 113.262 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -129.94 141.73 50.74 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.743 2.017 . . . . 0.0 107.991 168.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.36 127.37 46.5 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.2 1.8 . . . . 0.0 110.456 -169.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.79 125.86 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.802 1.241 . . . . 0.0 111.212 -169.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -130.95 146.45 52.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.995 1.318 . . . . 0.0 111.89 171.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.23 29.65 3.84 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.783 1.233 . . . . 0.0 114.301 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.51 13.21 83.14 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.998 1.285 . . . . 0.0 115.221 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -125.7 133.77 52.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.79 2.036 . . . . 0.0 111.177 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -69.27 126.48 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 121.687 0.756 . . . . 0.0 111.113 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' HB3' HG21 ' A' ' 23' ' ' VAL . 28.8 mt -69.4 120.05 14.61 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.747 2.019 . . . . 0.0 110.726 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -69.44 124.66 24.48 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.989 0.915 . . . . 0.0 111.55 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.61 -50.43 42.83 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.406 1.882 . . . . 0.0 114.511 -172.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.57 -14.74 59.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.096 1.358 . . . . 0.0 113.806 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.0 m -82.53 149.95 27.22 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.91 1.284 . . . . 0.0 110.8 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.97 155.79 32.42 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.98 -31.33 72.18 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.551 -0.718 . . . . 0.0 112.879 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -48.47 -39.81 24.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.676 1.99 . . . . 0.0 113.135 171.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -65.56 -16.41 63.66 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.768 1.627 . . . . 0.0 114.446 -174.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -114.84 -1.27 13.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.567 1.547 . . . . 0.0 112.503 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm 46.65 39.9 7.7 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.753 2.421 . . . . 0.0 113.719 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 53.6 mt -59.66 137.16 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.471 1.508 . . . . 0.0 109.816 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -103.99 162.81 12.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.027 1.331 . . . . 0.0 111.711 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -82.69 -37.32 24.96 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.225 1.01 . . . . 0.0 112.931 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -78.36 -39.06 40.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.582 1.553 . . . . 0.0 111.52 -176.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -73.95 166.68 22.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.878 1.271 . . . . 0.0 110.347 171.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -116.11 151.33 35.82 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 122.266 1.031 . . . . 0.0 113.703 -176.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.8 158.37 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 127.641 2.377 . . . . 0.0 107.451 169.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.2 t -105.45 124.41 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 121.276 -0.89 . . . . 0.0 110.211 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -104.77 138.01 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.568 1.547 . . . . 0.0 109.624 171.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -138.05 163.34 31.83 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.807 1.243 . . . . 0.0 111.085 170.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.467 0.412 0 C-N-CA 124.674 1.19 . . . . 0.0 110.08 -179.383 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.7 -32.45 73.95 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.286 -0.884 . . . . 0.0 113.03 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.0 -39.74 49.29 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.477 1.111 . . . . 0.0 111.588 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -59.37 -44.85 92.66 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.402 1.081 . . . . 0.0 111.163 169.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 41.1 mt -56.96 -53.45 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.854 1.261 . . . . 0.0 110.911 170.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.03 -33.54 73.45 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.037 1.289 . . . . 0.0 113.434 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -63.68 -45.63 89.21 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.249 1.019 . . . . 0.0 111.684 169.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 290' ' ' ALA . . . . . 0.438 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -56.69 -47.76 79.16 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.208 1.003 . . . . 0.0 112.713 171.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 43.4 mtt -54.13 -57.81 9.71 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 125.731 1.613 . . . . 0.0 110.801 173.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.76 -41.88 67.64 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.879 1.271 . . . . 0.0 113.577 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.99 -53.34 47.71 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.078 0.853 . . . . 0.0 111.596 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 CA--C 1.538 0.486 0 C-N-CA 125.613 1.565 . . . . 0.0 113.5 176.509 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.81 83.12 7.25 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.979 0.912 . . . . 0.0 111.525 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.06 115.53 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.548 1.139 . . . . 0.0 108.902 169.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -79.29 140.31 37.61 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.968 0.413 . . . . 0.0 109.931 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.1 mt -118.06 153.07 34.34 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.78 1.632 . . . . 0.0 111.956 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -133.28 130.18 38.61 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 126.236 1.814 . . . . 0.0 109.576 168.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.8 p -82.0 169.34 16.86 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.103 1.361 . . . . 0.0 111.726 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -64.55 -19.38 65.6 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -96.39 16.18 19.25 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.031 1.332 . . . . 0.0 111.875 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 61.37 27.37 17.0 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.672 2.389 . . . . 0.0 114.849 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -89.11 154.27 20.3 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.878 0.871 . . . . 0.0 109.464 171.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 63.3 p -135.63 145.86 47.27 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -171.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -147.75 171.52 15.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.951 2.101 . . . . 0.0 110.81 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -122.48 142.76 50.23 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.744 1.218 . . . . 0.0 111.58 169.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.7 mm -126.84 108.26 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 126.925 2.09 . . . . 0.0 108.691 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.7 102.62 2.84 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.895 0.478 . . . . 0.0 110.754 172.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 tp -121.57 150.78 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 126.468 1.907 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.65 119.13 72.29 Favored Pre-proline 0 CA--C 1.552 1.046 0 O-C-N 120.829 -1.17 . . . . 0.0 110.825 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.24 -12.86 28.04 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.033 2.489 . . . . 0.0 114.355 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -87.84 -13.75 41.31 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.035 -1.041 . . . . 0.0 112.583 171.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -80.89 179.63 7.75 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.234 1.014 . . . . 0.0 110.925 169.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.504 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 29.9 p -94.69 173.99 7.33 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -169.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' A' ' 53' ' ' LEU . 88.2 t -61.59 -36.48 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.345 1.058 . . . . 0.0 111.023 170.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.21 -37.01 81.47 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.057 -1.027 . . . . 0.0 112.103 170.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.74 93.94 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 118.942 0.792 . . . . 0.0 112.931 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.37 -54.61 41.5 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.843 -1.161 . . . . 0.0 110.983 169.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -51.45 -41.26 60.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.457 1.103 . . . . 0.0 113.206 171.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -51.28 63.52 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.171 1.388 . . . . 0.0 111.889 172.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -70.19 -35.78 74.17 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.472 0.709 . . . . 0.0 112.597 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.52 -53.81 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.544 1.138 . . . . 0.0 110.078 169.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.3 -46.62 85.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.724 0.81 . . . . 0.0 112.144 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -59.15 -48.55 81.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.482 1.113 . . . . 0.0 112.66 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.92 -53.79 10.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.655 1.182 . . . . 0.0 112.706 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -86.82 -11.93 49.45 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.911 1.284 . . . . 0.0 114.103 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.73 143.92 15.25 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 127.282 2.373 . . . . 0.0 113.965 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -63.71 -28.95 70.24 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.901 1.28 . . . . 0.0 113.962 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.07 -58.05 8.59 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 122.361 1.076 . . . . 0.0 111.505 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.21 -40.4 59.25 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.79 1.636 . . . . 0.0 113.522 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.02 68.34 56.82 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.143 0.977 . . . . 0.0 113.573 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.35 144.47 45.86 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.132 2.555 . . . . 0.0 110.983 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.42 -53.48 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 125.545 1.538 . . . . 0.0 111.91 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.2 -15.68 36.77 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.056 1.343 . . . . 0.0 114.618 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.68 -16.34 42.76 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.957 1.265 . . . . 0.0 114.627 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -81.78 144.41 31.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.234 1.517 . . . . 0.0 112.944 -174.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -128.95 134.46 48.21 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.645 1.978 . . . . 0.0 107.517 168.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.04 125.47 48.41 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.629 1.971 . . . . 0.0 109.888 -169.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.23 127.2 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.577 1.151 . . . . 0.0 111.208 -170.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -132.11 144.08 50.46 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.987 1.315 . . . . 0.0 110.924 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.85 30.07 4.86 Favored 'General case' 0 CA--C 1.556 1.191 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.67 18.34 79.46 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 126.59 2.043 . . . . 0.0 115.409 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -128.15 127.16 42.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.938 2.095 . . . . 0.0 110.738 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -68.12 124.65 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.734 -0.603 . . . . 0.0 110.344 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' HB3' HG21 ' A' ' 23' ' ' VAL . 27.2 mt -68.11 129.06 38.77 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.211 1.804 . . . . 0.0 111.021 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -74.04 123.15 23.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.976 0.911 . . . . 0.0 111.75 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.55 -47.48 19.64 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.868 1.667 . . . . 0.0 114.33 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -81.37 -15.75 54.33 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.4 m -80.22 143.77 33.48 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.089 -1.007 . . . . 0.0 110.766 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.504 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.92 152.25 35.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.46 -33.9 76.58 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.412 -0.805 . . . . 0.0 113.094 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -54.5 -27.52 38.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.071 1.348 . . . . 0.0 114.467 173.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -72.39 -17.36 61.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.935 1.294 . . . . 0.0 113.235 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -108.32 -3.73 18.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.032 1.733 . . . . 0.0 112.707 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt 50.64 32.07 6.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.922 2.489 . . . . 0.0 114.348 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.1 mt -58.13 143.44 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.809 1.644 . . . . 0.0 109.559 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -122.85 158.83 29.44 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.061 1.344 . . . . 0.0 111.458 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -71.96 -28.34 63.38 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.174 0.99 . . . . 0.0 113.563 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -81.38 -36.27 29.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.248 1.419 . . . . 0.0 112.638 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -68.64 173.09 5.43 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.417 1.487 . . . . 0.0 111.358 170.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -130.41 149.92 51.87 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.035 0.922 . . . . 0.0 113.284 171.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.21 163.57 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 127.608 2.363 . . . . 0.0 109.059 170.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.3 t -108.35 133.06 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.538 -0.726 . . . . 0.0 110.666 172.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.68 140.04 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.676 1.591 . . . . 0.0 109.978 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.2 ptm -138.55 156.81 47.16 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.436 1.094 . . . . 0.0 111.574 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.467 0.385 0 C-N-CA 124.727 1.211 . . . . 0.0 109.9 179.106 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.72 -37.26 83.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.089 0.956 . . . . 0.0 112.507 175.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -72.42 -37.71 68.55 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.676 0.79 . . . . 0.0 112.154 173.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -60.12 -45.33 93.35 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.97 0.804 . . . . 0.0 110.392 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.36 -52.48 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.551 1.54 . . . . 0.0 111.201 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.74 -33.85 73.55 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.682 1.128 . . . . 0.0 113.454 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -60.87 -48.33 82.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.959 0.904 . . . . 0.0 111.529 170.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.85 83.89 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.9 mtt -55.62 -52.31 64.24 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.334 1.054 . . . . 0.0 111.769 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.38 -43.58 88.52 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 62.4 mtm -63.61 -44.55 93.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.169 0.895 . . . . 0.0 111.952 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -179.155 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 ttp . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.75 79.24 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.881 0.872 . . . . 0.0 111.329 -171.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.16 133.57 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.304 1.442 . . . . 0.0 109.7 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.3 m -80.02 135.77 36.44 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.787 -0.57 . . . . 0.0 109.818 169.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.86 149.59 30.38 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.101 1.76 . . . . 0.0 110.612 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -138.99 139.41 37.89 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.388 1.875 . . . . 0.0 111.314 173.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -102.51 166.53 10.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.334 1.453 . . . . 0.0 112.348 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 mt -72.07 -13.43 61.59 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 172.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -85.2 6.53 25.5 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.245 1.418 . . . . 0.0 111.09 169.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 61.64 27.14 16.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.004 2.522 . . . . 0.0 113.753 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.33 154.93 19.7 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.582 1.153 . . . . 0.0 110.043 171.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.5 p -136.42 146.08 46.01 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.911 0.884 . . . . 0.0 112.658 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -150.67 -169.26 3.34 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.917 2.087 . . . . 0.0 110.209 176.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.12 149.96 51.11 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.812 -1.18 . . . . 0.0 112.033 170.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mm -126.84 115.72 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.753 2.021 . . . . 0.0 109.029 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -74.52 102.0 4.36 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.95 0.5 . . . . 0.0 110.137 169.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.0 tp -118.44 148.05 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.782 1.633 . . . . 0.0 111.116 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -75.0 114.54 35.91 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.103 0.961 . . . . 0.0 111.385 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.45 -20.61 31.37 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.967 2.444 . . . . 0.0 113.914 -174.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.92 -20.37 61.08 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.739 1.215 . . . . 0.0 112.999 172.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -82.19 178.52 8.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.578 1.151 . . . . 0.0 111.644 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 47.1 p -94.49 173.43 7.62 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -173.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.415 HG21 ' HB3' ' A' ' 53' ' ' LEU . 55.0 t -59.85 -32.21 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.349 1.06 . . . . 0.0 111.641 172.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -59.97 -38.85 83.71 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.759 -1.213 . . . . 0.0 112.054 170.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.83 -35.76 81.59 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 174.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.61 -55.1 39.24 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.098 -1.001 . . . . 0.0 110.791 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -49.93 -44.38 50.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.07 0.948 . . . . 0.0 113.169 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.4 -53.83 32.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.255 1.822 . . . . 0.0 112.082 171.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -69.02 -34.54 75.4 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.499 -0.751 . . . . 0.0 112.897 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.03 -49.16 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 123.852 0.861 . . . . 0.0 110.757 170.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.73 -42.41 88.66 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.072 0.851 . . . . 0.0 111.227 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 t -58.73 -51.34 70.39 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.041 1.336 . . . . 0.0 112.253 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -70.13 -56.19 7.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.748 0.819 . . . . 0.0 113.13 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -84.32 -18.19 37.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.048 1.339 . . . . 0.0 113.66 -171.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.5 136.76 6.15 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.577 2.036 . . . . 0.0 113.079 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -58.46 -21.26 50.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.818 2.447 . . . . 0.0 114.604 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -63.26 -29.25 70.62 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.176 0.99 . . . . 0.0 112.928 170.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.46 -41.14 3.93 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.669 1.587 . . . . 0.0 112.749 -173.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -136.91 70.65 57.29 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 126.063 1.745 . . . . 0.0 111.676 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.72 144.49 49.07 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.728 2.285 . . . . 0.0 110.786 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.83 -45.67 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 125.017 1.327 . . . . 0.0 111.99 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.21 -23.54 67.11 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.66 -25.91 8.36 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.171 1.367 . . . . 0.0 114.18 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -66.02 135.81 55.18 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.415 1.086 . . . . 0.0 113.34 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -119.89 138.24 53.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.882 2.073 . . . . 0.0 106.953 168.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.15 121.83 39.66 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.195 1.798 . . . . 0.0 109.542 -171.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -129.66 128.71 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.922 1.289 . . . . 0.0 111.001 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -134.93 144.53 47.51 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.34 1.456 . . . . 0.0 110.841 173.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.49 33.11 3.75 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.96 10.58 86.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 127.119 2.295 . . . . 0.0 115.987 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -128.61 137.29 51.61 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.064 1.746 . . . . 0.0 112.165 -175.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -75.41 127.03 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.717 0.807 . . . . 0.0 110.642 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.415 ' HB3' HG21 ' A' ' 23' ' ' VAL . 35.1 mt -70.5 131.51 44.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.833 2.053 . . . . 0.0 111.77 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -72.43 119.45 16.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.41 1.084 . . . . 0.0 111.419 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -53.39 -37.68 62.68 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -174.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.03 -15.77 52.5 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.2 m -83.98 148.45 26.88 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.442 1.097 . . . . 0.0 111.081 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -78.19 156.05 30.03 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.04 -32.97 74.75 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.883 0.873 . . . . 0.0 113.315 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.96 -28.04 68.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.716 1.207 . . . . 0.0 113.779 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -67.77 -16.09 63.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.585 1.154 . . . . 0.0 113.172 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -109.31 -0.41 19.12 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.493 1.917 . . . . 0.0 112.526 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 49.52 33.4 5.69 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.824 2.449 . . . . 0.0 114.376 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.6 140.19 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.871 1.269 . . . . 0.0 109.733 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.73 159.03 23.67 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.93 1.292 . . . . 0.0 111.266 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.44 -34.24 76.81 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.123 0.969 . . . . 0.0 112.881 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -76.67 -33.63 58.26 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.985 1.314 . . . . 0.0 112.862 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -72.7 165.38 24.9 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.856 0.862 . . . . 0.0 110.747 171.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -114.64 149.25 36.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.723 0.809 . . . . 0.0 112.359 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.22 155.89 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 126.407 1.883 . . . . 0.0 108.3 169.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.6 t -107.76 121.59 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.353 0.597 . . . . 0.0 109.701 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.83 133.99 47.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 125.037 1.335 . . . . 0.0 109.641 172.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -133.92 163.86 28.58 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.689 1.196 . . . . 0.0 110.446 169.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.465 0.295 0 C-N-CA 124.176 0.99 . . . . 0.0 109.378 179.211 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.16 -34.76 78.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.44 -0.788 . . . . 0.0 112.673 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -70.84 -37.12 73.14 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.104 -0.997 . . . . 0.0 112.5 173.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -59.46 -46.2 89.46 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.478 1.036 . . . . 0.0 110.916 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.91 -55.36 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.993 1.317 . . . . 0.0 111.071 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.63 76.18 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.256 -0.902 . . . . 0.0 113.091 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -61.25 -45.74 93.28 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.464 -0.773 . . . . 0.0 111.631 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.02 90.09 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.082 0.953 . . . . 0.0 113.533 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.9 mtt -57.18 -60.58 3.4 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.931 1.292 . . . . 0.0 110.29 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -50.43 -43.52 54.95 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.261 1.024 . . . . 0.0 112.391 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 39.4 ttm -56.55 -57.24 13.21 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.375 1.07 . . . . 0.0 112.662 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.887 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptm . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -98.24 86.89 3.76 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.035 0.934 . . . . 0.0 110.138 173.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.01 149.12 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.812 -0.555 . . . . 0.0 111.268 173.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.1 m -86.66 134.99 33.57 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 168.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.51 154.94 22.98 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.986 1.714 . . . . 0.0 110.502 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -138.08 125.41 21.79 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.152 1.781 . . . . 0.0 110.946 170.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p -82.63 162.93 21.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.898 0.879 . . . . 0.0 111.893 171.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' B' ' 290' ' ' ALA . 37.8 mt -65.8 -28.11 68.77 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.208 -0.933 . . . . 0.0 112.745 171.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -72.58 8.28 1.5 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.983 1.713 . . . . 0.0 113.448 169.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 71.22 22.53 4.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.875 2.47 . . . . 0.0 114.161 174.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -89.06 119.39 29.53 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.705 0.802 . . . . 0.0 109.833 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 p -109.21 120.56 42.9 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.368 1.067 . . . . 0.0 111.479 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -139.26 -173.29 3.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.308 2.243 . . . . 0.0 110.139 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -123.48 156.94 34.62 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.137 -0.977 . . . . 0.0 112.597 173.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -133.93 113.72 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.516 1.927 . . . . 0.0 109.821 175.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -81.18 102.87 10.59 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.743 1.217 . . . . 0.0 109.445 169.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.8 tp -127.0 154.03 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.576 1.95 . . . . 0.0 111.586 -174.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -79.43 118.57 73.17 Favored Pre-proline 0 CA--C 1.551 1.006 0 O-C-N 121.356 -0.84 . . . . 0.0 111.735 174.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -67.94 -26.65 37.53 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.214 2.609 . . . . 0.0 113.229 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.09 -19.32 60.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.477 1.511 . . . . 0.0 113.093 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -78.32 171.74 14.62 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.265 1.031 . . . . 0.0 111.556 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 62.5 p -93.75 169.21 10.48 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.39 -0.819 . . . . 0.0 112.989 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 53' ' ' LEU . 61.8 t -58.49 -29.91 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.675 1.19 . . . . 0.0 112.784 -175.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -62.6 -23.63 67.15 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.728 -1.233 . . . . 0.0 113.705 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.2 -35.39 59.09 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.168 0.895 . . . . 0.0 112.804 169.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -56.2 -52.6 63.81 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.488 -1.383 . . . . 0.0 109.287 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -50.98 -46.18 61.26 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.196 0.998 . . . . 0.0 113.551 169.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.94 -44.27 91.35 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.802 1.183 . . . . 0.0 112.813 178.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -69.27 -35.75 76.39 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.641 -0.662 . . . . 0.0 112.521 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.07 -46.34 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.898 0.879 . . . . 0.0 111.106 170.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.97 -42.73 85.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.758 0.823 . . . . 0.0 111.224 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 t -63.05 -47.59 82.31 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.475 1.11 . . . . 0.0 112.758 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -64.94 -58.95 4.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.541 1.537 . . . . 0.0 112.854 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -84.77 -15.47 44.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.358 1.463 . . . . 0.0 113.981 -172.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.37 143.04 5.72 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 126.844 2.164 . . . . 0.0 112.314 -171.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -69.5 -14.65 62.98 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -62.31 -41.77 98.81 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.351 0.66 . . . . 0.0 111.045 169.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.24 -48.08 10.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.493 1.117 . . . . 0.0 111.753 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -138.58 75.89 37.09 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.137 1.375 . . . . 0.0 112.349 -173.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.1 141.59 40.17 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.905 2.403 . . . . 0.0 110.086 174.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.7 t -51.43 -46.8 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.717 -1.24 . . . . 0.0 112.1 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -20.56 66.54 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.49 -20.95 10.27 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.431 1.491 . . . . 0.0 114.334 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -66.73 149.87 49.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.667 1.187 . . . . 0.0 113.547 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -136.95 146.12 45.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.047 2.139 . . . . 0.0 108.234 168.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.5 127.12 41.83 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.352 1.861 . . . . 0.0 109.505 -170.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.85 122.42 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.83 1.252 . . . . 0.0 110.58 -169.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -128.71 134.86 48.6 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.991 1.316 . . . . 0.0 111.808 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.91 27.16 4.1 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.589 1.155 . . . . 0.0 113.516 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.04 -9.53 24.88 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.869 2.176 . . . . 0.0 115.205 -172.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -83.23 118.63 23.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.733 1.613 . . . . 0.0 110.095 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mt -64.52 119.47 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 121.346 0.593 . . . . 0.0 110.236 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.483 ' HB3' HG21 ' A' ' 23' ' ' VAL . 28.9 mt -65.93 119.18 10.86 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.433 1.893 . . . . 0.0 110.667 178.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.2 126.3 29.26 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.348 0.659 . . . . 0.0 111.586 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.04 -47.36 22.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.024 1.73 . . . . 0.0 114.475 -175.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -87.99 -1.53 58.05 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.864 1.666 . . . . 0.0 114.258 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -92.41 148.44 22.11 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.836 1.254 . . . . 0.0 110.024 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -79.71 157.17 27.24 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -175.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.54 -29.15 69.16 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.16 -0.962 . . . . 0.0 113.206 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -59.77 -29.65 68.33 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.25 1.42 . . . . 0.0 113.701 173.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -66.86 -16.38 64.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.895 1.278 . . . . 0.0 113.979 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -115.43 1.46 13.68 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.83 1.652 . . . . 0.0 112.456 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 46.02 37.55 3.87 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.132 2.573 . . . . 0.0 114.365 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.8 mt -61.58 142.79 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 125.86 1.664 . . . . 0.0 110.072 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -125.2 155.97 39.19 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.068 1.347 . . . . 0.0 113.001 -173.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -74.64 -29.98 61.46 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.505 1.522 . . . . 0.0 113.974 -176.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.71 -32.66 62.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.24 1.016 . . . . 0.0 112.304 177.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -82.08 177.04 9.04 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.774 1.63 . . . . 0.0 111.35 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -119.66 162.6 18.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.103 1.361 . . . . 0.0 112.501 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.07 157.94 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.869 2.067 . . . . 0.0 109.35 171.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.1 t -107.48 127.51 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.741 -0.599 . . . . 0.0 110.232 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.7 p -112.69 141.4 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.328 1.451 . . . . 0.0 110.275 172.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.4 ptm -138.45 169.14 18.31 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.175 1.39 . . . . 0.0 111.509 173.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.534 0.343 0 C-N-CA 125.51 1.524 . . . . 0.0 108.627 173.615 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -62.28 -42.44 99.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.606 1.162 . . . . 0.0 112.761 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.22 -34.82 71.17 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.366 -0.833 . . . . 0.0 112.101 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -60.91 -46.72 89.53 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.793 1.237 . . . . 0.0 111.269 172.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.37 -51.8 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.835 1.654 . . . . 0.0 111.238 170.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.53 -34.36 75.41 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.98 -1.075 . . . . 0.0 113.333 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -61.02 -43.38 98.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.227 1.011 . . . . 0.0 111.841 170.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 290' ' ' ALA . . . . . 0.424 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -59.73 -48.16 82.8 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.993 0.917 . . . . 0.0 112.61 171.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 50.6 mtt -53.59 -51.37 63.24 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.015 1.326 . . . . 0.0 112.112 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -55.32 -43.25 74.75 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.732 1.151 . . . . 0.0 113.404 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 75.3 mtm -66.23 -44.29 84.19 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.881 -0.512 . . . . 0.0 111.935 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 125.025 1.33 . . . . 0.0 113.383 174.117 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 ttp . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 121.507 0.67 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -86.62 82.55 7.86 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.711 1.204 . . . . 0.0 111.611 -173.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -67.61 134.96 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.827 1.251 . . . . 0.0 109.759 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 m -80.04 132.43 35.99 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.457 -0.777 . . . . 0.0 109.846 169.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.18 148.29 28.06 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.164 1.385 . . . . 0.0 110.841 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -136.44 127.5 27.84 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.95 1.7 . . . . 0.0 111.385 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -87.53 164.38 16.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.298 1.439 . . . . 0.0 111.643 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.66 -19.38 63.61 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.921 -1.112 . . . . 0.0 113.518 171.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -76.0 5.45 6.58 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.815 1.246 . . . . 0.0 111.858 169.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 64.11 24.59 13.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.327 2.651 . . . . 0.0 113.692 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -88.93 151.69 22.17 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.123 0.969 . . . . 0.0 109.726 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.1 p -131.89 141.43 49.37 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.042 0.925 . . . . 0.0 112.832 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -146.69 -173.11 4.13 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.724 2.41 . . . . 0.0 109.626 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -134.27 157.98 44.92 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.872 -1.142 . . . . 0.0 111.578 169.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -135.07 115.46 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.592 1.957 . . . . 0.0 108.899 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -79.51 97.84 6.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.064 0.546 . . . . 0.0 110.355 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 18' ' ' ASP . 4.2 tp -113.59 148.32 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.669 1.988 . . . . 0.0 111.526 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' H ' HD12 ' A' ' 17' ' ' ILE . 15.6 t0 -77.97 116.34 57.78 Favored Pre-proline 0 CA--C 1.555 1.168 0 O-C-N 121.148 -0.97 . . . . 0.0 111.515 173.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.78 -13.74 24.34 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.745 2.963 . . . . 0.0 114.991 -175.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -84.44 -17.0 40.63 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.655 1.116 . . . . 0.0 112.54 174.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -74.47 168.31 19.99 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.092 0.949 . . . . 0.0 111.474 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.3 p -81.21 171.03 15.37 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.295 -0.878 . . . . 0.0 113.114 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.93 -28.66 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.565 1.146 . . . . 0.0 112.062 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -46.95 -47.93 21.62 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.341 0.973 . . . . 0.0 110.948 169.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.31 -34.65 77.81 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 tp -56.53 -55.7 30.56 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.517 -1.364 . . . . 0.0 109.775 169.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -56.0 -40.8 73.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.208 1.403 . . . . 0.0 114.091 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.8 -40.56 92.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.431 1.093 . . . . 0.0 112.551 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -38.8 86.74 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.272 0.629 . . . . 0.0 112.094 174.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.26 -48.95 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.756 0.822 . . . . 0.0 110.991 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.15 -43.04 82.13 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.472 0.709 . . . . 0.0 111.202 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.2 m -63.3 -46.96 84.31 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.814 1.245 . . . . 0.0 112.944 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -68.88 -57.81 5.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.018 1.327 . . . . 0.0 112.245 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -81.49 -16.88 50.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.714 1.206 . . . . 0.0 113.777 -172.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.7 143.38 7.64 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.66 2.076 . . . . 0.0 112.073 -171.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -68.52 -14.14 62.8 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.39 -42.03 98.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.498 -0.751 . . . . 0.0 111.092 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.06 -51.29 8.16 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.794 1.238 . . . . 0.0 112.091 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -138.26 70.3 47.54 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 125.113 1.365 . . . . 0.0 112.467 -171.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -67.74 138.01 43.75 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.174 2.583 . . . . 0.0 109.138 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -48.07 -44.99 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 CA-C-N 121.051 1.75 . . . . 0.0 113.465 -172.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.62 79.38 Favored 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.13 -35.89 47.69 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.915 1.245 . . . . 0.0 113.553 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -58.76 139.06 56.76 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.357 2.263 . . . . 0.0 110.993 172.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -130.24 154.53 47.49 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.593 1.557 . . . . 0.0 110.322 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.29 123.54 28.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.804 2.041 . . . . 0.0 110.736 -169.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.85 124.87 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.191 1.397 . . . . 0.0 110.408 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HB3' HD21 ' A' ' 53' ' ' LEU . 64.9 t80 -132.47 141.92 49.01 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.309 1.444 . . . . 0.0 111.91 175.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.45 25.26 1.29 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.36 1.464 . . . . 0.0 114.21 -173.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.45 13.86 82.78 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 126.117 1.818 . . . . 0.0 116.024 -174.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -122.17 141.76 51.11 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.193 1.497 . . . . 0.0 111.705 174.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.28 124.18 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 123.76 0.824 . . . . 0.0 110.583 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 48' ' ' TYR . 31.6 mt -68.4 119.07 12.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.648 1.579 . . . . 0.0 110.745 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -68.3 120.49 14.51 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.936 0.895 . . . . 0.0 110.689 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.28 -29.18 57.63 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -175.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -88.13 -18.61 28.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.741 1.216 . . . . 0.0 113.478 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.9 m -81.71 153.83 26.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.188 1.395 . . . . 0.0 110.92 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -81.0 156.46 25.9 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.879 -1.138 . . . . 0.0 113.871 -177.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.93 -34.9 79.51 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.767 0.827 . . . . 0.0 112.452 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -52.03 -33.63 39.49 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.642 1.977 . . . . 0.0 113.802 173.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.64 -18.29 64.91 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.993 1.317 . . . . 0.0 114.088 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.93 -3.12 14.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.241 1.416 . . . . 0.0 112.385 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 51.19 33.01 8.74 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.613 2.365 . . . . 0.0 114.355 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 64' ' ' ILE . 8.8 mt -58.45 144.28 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.535 1.534 . . . . 0.0 109.065 172.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -133.49 159.74 39.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.112 1.365 . . . . 0.0 111.238 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.19 -32.09 72.69 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.684 0.793 . . . . 0.0 113.004 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -70.33 -17.18 63.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.627 1.571 . . . . 0.0 113.953 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -103.96 165.82 10.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.12 1.368 . . . . 0.0 111.554 -175.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -108.4 159.75 16.42 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.22 1.008 . . . . 0.0 112.153 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.79 157.25 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 127.07 2.148 . . . . 0.0 108.701 170.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -108.68 129.81 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 122.845 0.458 . . . . 0.0 110.142 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -118.72 140.22 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.444 1.497 . . . . 0.0 110.905 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 ptm -141.81 171.67 13.75 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.751 1.62 . . . . 0.0 111.646 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 124.727 1.211 . . . . 0.0 110.254 173.637 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.97 -41.39 82.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.503 1.121 . . . . 0.0 112.669 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -64.44 -42.47 95.96 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.385 -0.822 . . . . 0.0 112.074 174.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -60.98 -44.97 96.59 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.852 0.861 . . . . 0.0 112.11 172.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.01 -51.56 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.818 0.847 . . . . 0.0 111.139 170.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.13 74.52 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.983 -1.073 . . . . 0.0 113.492 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -62.92 -43.69 98.1 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.202 -0.936 . . . . 0.0 111.83 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.54 85.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.613 0.765 . . . . 0.0 112.232 172.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.3 mtt -56.86 -49.44 75.48 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.826 1.25 . . . . 0.0 111.857 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -58.41 -43.26 88.55 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.85 0.75 . . . . 0.0 112.665 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 54.8 mtm -63.53 -48.55 77.06 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.98 0.809 . . . . 0.0 111.63 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 125.813 1.645 . . . . 0.0 114.19 174.872 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 ttp . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.34 78.41 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.635 1.174 . . . . 0.0 110.935 -171.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.3 134.4 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.9 1.28 . . . . 0.0 109.928 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.2 m -81.28 133.04 35.37 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.75 150.66 27.28 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.687 1.595 . . . . 0.0 110.513 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -138.78 139.73 38.36 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.726 1.611 . . . . 0.0 111.555 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 p -103.61 164.42 11.68 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.306 1.442 . . . . 0.0 112.221 -176.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' B' ' 290' ' ' ALA . 20.7 mt -69.84 -18.87 63.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 172.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -81.87 9.39 8.21 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.967 1.707 . . . . 0.0 112.677 169.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 65.49 22.39 11.84 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.296 2.238 . . . . 0.0 114.247 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -89.13 150.66 22.61 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.665 0.786 . . . . 0.0 109.668 174.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.7 p -132.85 138.06 46.92 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.804 0.842 . . . . 0.0 111.61 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -142.63 -175.86 4.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.814 2.046 . . . . 0.0 110.165 -173.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 151.22 52.08 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.199 -0.938 . . . . 0.0 111.777 169.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 mm -133.78 108.88 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 126.853 2.061 . . . . 0.0 108.996 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -77.93 95.86 4.88 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.968 0.507 . . . . 0.0 110.097 170.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -114.08 148.11 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.688 1.995 . . . . 0.0 110.723 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.91 120.72 82.91 Favored Pre-proline 0 CA--C 1.555 1.152 0 O-C-N 120.985 -1.072 . . . . 0.0 111.004 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.8 -14.33 17.41 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.264 2.643 . . . . 0.0 114.876 -172.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.07 -22.39 49.13 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.38 0.991 . . . . 0.0 111.25 169.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.2 179.12 3.49 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.017 1.727 . . . . 0.0 112.741 169.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 43.7 p -101.65 174.53 5.92 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -169.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 53' ' ' LEU . 61.7 t -63.02 -33.69 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.794 0.838 . . . . 0.0 111.2 172.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.45 -39.86 89.05 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.999 -1.063 . . . . 0.0 111.483 169.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.83 90.28 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 172.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.5 -55.47 28.78 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.652 -1.28 . . . . 0.0 110.78 169.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -50.82 -42.25 58.22 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.889 0.876 . . . . 0.0 113.345 170.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -49.84 75.53 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.44 1.096 . . . . 0.0 112.409 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -65.14 -37.57 87.85 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.7 0.8 . . . . 0.0 112.573 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.94 -49.38 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.33 0.968 . . . . 0.0 110.741 171.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.24 -43.97 92.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.808 0.843 . . . . 0.0 111.817 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -60.52 -52.99 62.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.564 1.546 . . . . 0.0 112.379 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -75.1 -49.87 18.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.938 1.295 . . . . 0.0 113.081 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -87.3 -17.45 32.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.713 1.205 . . . . 0.0 113.672 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.08 131.71 5.9 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.427 1.965 . . . . 0.0 113.316 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -56.94 -21.35 29.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.975 2.51 . . . . 0.0 114.523 173.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.29 -32.0 69.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.285 1.434 . . . . 0.0 112.846 169.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.02 -36.49 4.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.436 1.495 . . . . 0.0 113.019 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -136.5 71.32 59.38 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.614 1.566 . . . . 0.0 112.074 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.35 143.88 44.48 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.538 2.159 . . . . 0.0 110.535 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -51.08 -45.96 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 124.756 1.222 . . . . 0.0 111.993 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.6 -21.09 66.13 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.48 -24.93 9.04 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.981 1.277 . . . . 0.0 113.849 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -67.7 149.26 50.22 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.737 1.215 . . . . 0.0 113.557 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -136.25 144.93 45.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.448 2.299 . . . . 0.0 108.388 168.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.1 125.32 42.36 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.446 1.498 . . . . 0.0 110.428 -169.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mp -132.06 120.36 43.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.152 1.381 . . . . 0.0 110.216 -169.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -127.65 148.9 50.39 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.538 1.135 . . . . 0.0 111.328 170.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.69 31.36 2.99 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.848 1.259 . . . . 0.0 113.501 -174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.43 16.93 74.01 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.123 1.82 . . . . 0.0 116.244 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -128.28 143.29 51.01 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.584 1.692 . . . . 0.0 112.364 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -71.97 127.24 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 124.171 0.988 . . . . 0.0 110.444 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HB3' HG21 ' A' ' 23' ' ' VAL . 45.4 mt -76.54 137.51 39.63 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.534 1.533 . . . . 0.0 111.755 -177.029 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -73.54 120.54 19.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.362 1.065 . . . . 0.0 110.808 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -53.63 -38.42 64.04 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -80.17 -20.31 45.11 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.6 m -77.71 142.59 38.67 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.196 -0.94 . . . . 0.0 110.885 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -74.67 154.65 38.38 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 -177.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.54 -31.36 72.03 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.314 -0.866 . . . . 0.0 113.289 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -47.94 -40.94 23.56 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.194 1.797 . . . . 0.0 112.858 170.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.42 -19.52 65.82 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.615 1.566 . . . . 0.0 113.775 -174.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -107.73 -3.02 19.53 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.057 1.743 . . . . 0.0 112.958 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt 44.63 38.32 2.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.336 2.655 . . . . 0.0 115.401 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 54.7 mt -57.32 138.68 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.62 1.568 . . . . 0.0 109.74 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -106.83 157.0 18.08 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.581 1.152 . . . . 0.0 111.288 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -73.17 -33.41 65.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.721 0.808 . . . . 0.0 112.744 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.71 -34.82 34.24 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.823 1.649 . . . . 0.0 112.513 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -68.23 162.95 23.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.649 0.78 . . . . 0.0 109.877 169.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -117.18 140.91 48.94 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.646 0.736 . . . . 0.0 112.649 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.5 160.38 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.657 1.583 . . . . 0.0 109.039 170.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -110.46 122.27 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.394 0.616 . . . . 0.0 110.091 172.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -105.81 138.15 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 125.117 1.367 . . . . 0.0 109.573 170.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.6 ptm -132.49 159.89 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.529 1.132 . . . . 0.0 110.581 169.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 124.841 1.257 . . . . 0.0 109.065 176.267 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -68.32 -38.15 81.29 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.791 0.836 . . . . 0.0 112.982 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -67.66 -40.62 84.49 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.946 -1.096 . . . . 0.0 112.248 173.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.24 -43.54 95.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.4 1.08 . . . . 0.0 111.888 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 40.3 mt -55.93 -53.4 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.172 0.989 . . . . 0.0 110.72 169.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.79 -35.03 75.44 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.648 1.113 . . . . 0.0 113.236 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -59.68 -47.6 85.0 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.366 1.067 . . . . 0.0 111.283 170.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 290' ' ' ALA . . . . . 0.425 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -60.15 -41.71 93.33 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.235 1.014 . . . . 0.0 113.242 172.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.5 mtt -60.1 -52.84 63.64 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.142 1.377 . . . . 0.0 111.954 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -54.6 -48.37 72.27 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.748 0.819 . . . . 0.0 111.859 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 27.8 ttm -56.82 -49.23 76.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.206 1.002 . . . . 0.0 111.638 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 CA--C 1.535 0.398 0 C-N-CA 126.994 2.118 . . . . 0.0 114.985 177.811 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 ttp . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -92.29 78.66 5.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 124.439 1.095 . . . . 0.0 111.264 -170.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.54 131.31 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.006 1.322 . . . . 0.0 109.489 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.7 m -79.9 133.71 36.25 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 169.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.1 148.54 27.69 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.986 1.314 . . . . 0.0 110.604 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -137.65 140.18 40.71 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.1 1.76 . . . . 0.0 111.148 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 p -103.55 167.91 9.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.775 1.23 . . . . 0.0 112.29 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' B' ' 290' ' ' ALA . 38.7 mt -66.39 -26.82 67.43 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 172.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -75.66 3.56 9.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.118 1.367 . . . . 0.0 112.65 169.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 59.55 33.12 22.03 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.607 2.363 . . . . 0.0 114.085 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -89.05 153.31 21.1 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.633 0.773 . . . . 0.0 109.115 169.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 p -136.06 139.97 43.45 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.353 0.661 . . . . 0.0 112.777 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -143.61 -175.46 4.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.35 2.26 . . . . 0.0 109.916 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -131.71 153.91 49.55 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.999 -1.063 . . . . 0.0 111.83 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.5 mm -133.81 109.36 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 126.771 2.028 . . . . 0.0 108.899 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -78.64 95.21 5.2 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.795 169.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -114.16 148.98 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.599 1.96 . . . . 0.0 111.228 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -75.26 114.22 33.3 Favored Pre-proline 0 CA--C 1.55 0.973 0 O-C-N 121.243 -0.911 . . . . 0.0 111.808 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -69.44 -13.02 34.8 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.362 2.708 . . . . 0.0 112.812 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.36 -21.01 66.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.039 1.736 . . . . 0.0 112.705 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -97.99 175.53 6.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.687 1.595 . . . . 0.0 112.775 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 64.0 p -86.33 172.38 10.48 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.046 0.938 . . . . 0.0 113.389 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.56 -31.15 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.248 1.019 . . . . 0.0 111.95 174.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -56.12 -35.11 66.73 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.897 -1.127 . . . . 0.0 112.755 170.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.17 -37.17 72.19 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.92 0.782 . . . . 0.0 112.747 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 tp -56.01 -53.12 60.76 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.758 -1.214 . . . . 0.0 110.19 169.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -51.26 -44.59 61.82 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.627 1.171 . . . . 0.0 113.078 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -49.22 77.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.952 0.901 . . . . 0.0 112.376 174.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -61.65 -39.94 93.14 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.9 mt -62.25 -48.05 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.204 0.911 . . . . 0.0 110.342 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.94 -43.26 95.1 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.501 0.591 . . . . 0.0 111.815 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 t -58.01 -48.82 78.91 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.461 1.504 . . . . 0.0 112.412 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -73.78 -50.53 20.13 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.027 1.331 . . . . 0.0 112.965 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -89.5 -16.47 30.68 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.803 1.241 . . . . 0.0 114.088 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.14 156.04 25.42 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 126.461 1.981 . . . . 0.0 113.148 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.51 -26.4 68.69 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.805 1.242 . . . . 0.0 113.219 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -65.33 -41.98 93.42 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.81 1.244 . . . . 0.0 112.329 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.14 -54.16 5.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.541 1.136 . . . . 0.0 112.022 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -141.01 82.5 14.91 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 124.95 1.3 . . . . 0.0 111.804 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.68 151.71 64.0 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.323 2.015 . . . . 0.0 110.009 170.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.6 t -57.84 -45.47 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 120.26 -1.525 . . . . 0.0 111.264 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.37 -18.02 63.74 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.93 -22.24 6.36 Favored Glycine 0 N--CA 1.475 1.254 0 C-N-CA 125.076 1.322 . . . . 0.0 115.014 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -80.04 151.87 29.69 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 118.729 1.264 . . . . 0.0 112.507 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -127.77 150.45 49.8 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.384 1.874 . . . . 0.0 110.027 169.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -123.17 124.07 42.22 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.657 1.983 . . . . 0.0 110.507 -169.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.28 126.19 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.162 1.385 . . . . 0.0 110.41 -171.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -132.38 143.57 49.93 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.74 1.216 . . . . 0.0 111.498 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 46.97 35.47 3.34 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.682 1.193 . . . . 0.0 114.206 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.27 12.27 84.32 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.915 2.198 . . . . 0.0 116.147 -177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -128.75 133.37 48.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.238 1.815 . . . . 0.0 111.725 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -68.72 128.06 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.582 0.753 . . . . 0.0 110.721 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.0 mt -72.25 125.5 27.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.999 1.72 . . . . 0.0 111.272 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -68.67 118.9 12.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.989 0.916 . . . . 0.0 110.34 172.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.47 -33.51 63.73 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.41 -17.31 42.64 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.301 1.04 . . . . 0.0 113.546 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.1 m -82.73 151.5 26.16 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.88 1.272 . . . . 0.0 111.02 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.87 157.93 32.71 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.51 -35.39 80.72 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.864 0.866 . . . . 0.0 112.976 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -61.06 -27.88 68.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.299 1.44 . . . . 0.0 113.887 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -64.91 -18.01 64.84 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.846 1.259 . . . . 0.0 113.947 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.32 0.64 15.76 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.624 1.57 . . . . 0.0 112.367 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp 45.57 42.29 7.92 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.902 2.481 . . . . 0.0 113.427 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.0 mt -58.54 129.93 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.129 1.372 . . . . 0.0 110.174 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -99.46 157.27 16.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.237 1.015 . . . . 0.0 111.614 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -76.45 -38.46 55.39 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.835 0.854 . . . . 0.0 112.812 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -78.74 -34.35 45.87 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.155 1.382 . . . . 0.0 112.394 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -74.3 169.76 16.98 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.825 0.45 . . . . 0.0 110.078 169.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -118.76 143.88 46.62 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -92.43 154.8 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.662 1.585 . . . . 0.0 107.4 168.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.2 t -106.89 132.05 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.727 -0.608 . . . . 0.0 109.824 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.49 136.7 53.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 125.34 1.456 . . . . 0.0 109.838 171.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -132.1 162.03 31.83 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.956 1.302 . . . . 0.0 111.133 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p -133.98 128.84 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.329 1.451 . . . . 0.0 109.419 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.2 p -75.93 165.09 25.49 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.355 98.2 mttt 52.73 -96.08 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 128.61 2.764 . . . . 0.0 114.37 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -52.65 157.85 6.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 CA-C-N 125.016 2.827 . . . . 0.0 116.839 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -138.66 0.2 2.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.957 2.103 . . . . 0.0 115.254 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.1 142.68 54.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.659 1.184 . . . . 0.0 112.295 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -141.0 160.4 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.961 1.704 . . . . 0.0 111.636 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.8 m -77.47 81.2 3.94 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.191 1.396 . . . . 0.0 112.241 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 p -64.52 145.51 98.48 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.214 1.006 . . . . 0.0 112.42 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.46 173.62 14.19 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.564 2.843 . . . . 0.0 112.809 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -139.46 162.67 50.21 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.878 1.671 . . . . 0.0 111.767 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -55.74 93.6 0.05 OUTLIER 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 125.054 3.836 . . . . 0.0 115.216 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.74 -22.03 66.25 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.62 1.168 . . . . 0.0 113.798 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -58.64 -21.31 53.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.969 1.308 . . . . 0.0 114.051 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.7 tp -52.65 -30.0 29.34 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.369 1.468 . . . . 0.0 113.475 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.04 -13.24 57.42 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.199 1.4 . . . . 0.0 114.723 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -135.13 -43.05 0.72 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.657 1.183 . . . . 0.0 113.559 174.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . 0.266 26.8 p-80 45.41 22.75 0.1 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 129.365 3.066 . . . . 0.0 116.437 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -137.49 166.69 23.26 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 128.319 2.648 . . . . 0.0 110.319 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -138.71 163.77 31.28 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.593 1.557 . . . . 0.0 112.73 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -70.77 -26.23 63.25 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.429 1.092 . . . . 0.0 113.52 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 125.9 1.68 . . . . 0.0 112.085 176.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 18.8 m -64.69 -8.9 16.35 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -171.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 173.15 0.79 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.61 1.564 . . . . 0.0 114.093 173.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 25.3 ptp -61.46 -14.43 28.68 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . 0.258 1.1 t 54.41 -11.59 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 130.89 3.676 . . . . 0.0 118.832 175.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 41.3 pt -66.19 167.96 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.679 1.591 . . . . 0.0 112.634 170.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 8.1 t -135.61 178.85 6.72 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.706 1.602 . . . . 0.0 112.187 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -113.5 101.47 9.39 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.36 1.864 . . . . 0.0 111.44 -171.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -70.29 2.53 3.7 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.524 1.53 . . . . 0.0 113.955 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.36 -10.1 30.37 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.543 2.337 . . . . 0.0 114.691 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -124.1 166.64 15.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.828 1.651 . . . . 0.0 112.829 -171.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 174.16 176.29 42.44 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.69 1.138 . . . . 0.0 114.124 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -69.62 103.78 2.2 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.874 1.67 . . . . 0.0 111.625 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 24.1 p -71.81 -60.76 2.06 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.493 1.517 . . . . 0.0 112.769 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -98.91 99.83 2.2 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.094 1.807 . . . . 0.0 112.407 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.22 150.36 42.25 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 124.199 0.999 . . . . 0.0 112.774 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -60.17 167.96 6.82 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.611 2.874 . . . . 0.0 114.639 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -82.55 56.69 3.41 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.114 1.366 . . . . 0.0 108.994 168.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 15.5 mt 68.79 -8.66 0.62 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 129.965 3.306 . . . . 0.0 116.325 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 47.1 m -58.01 -29.84 65.61 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -169.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 12.2 m -100.24 -7.72 24.32 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -97.07 136.08 38.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.268 1.027 . . . . 0.0 113.598 -169.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 61.5 p -66.71 169.92 7.17 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.752 0.821 . . . . 0.0 111.225 169.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.86 -40.78 73.38 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.78 -1.2 . . . . 0.0 111.869 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.54 -42.15 98.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.625 1.17 . . . . 0.0 112.929 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.51 -40.19 77.11 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.174 -0.953 . . . . 0.0 112.586 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.26 -44.14 95.54 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.025 0.93 . . . . 0.0 111.277 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 52.7 mt -56.72 -52.98 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.671 1.188 . . . . 0.0 111.386 170.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.49 -34.43 74.05 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.864 1.211 . . . . 0.0 113.243 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.51 -45.7 91.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.206 1.002 . . . . 0.0 111.553 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 290' ' ' ALA . . . . . 0.429 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -56.26 -46.09 79.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.102 0.961 . . . . 0.0 112.912 171.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.1 mtt -56.02 -58.56 7.41 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 125.596 1.559 . . . . 0.0 111.007 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -52.17 -42.69 63.65 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.74 0.816 . . . . 0.0 112.915 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 74.0 mtm -59.72 -56.6 19.85 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.211 0.914 . . . . 0.0 112.414 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 79.0 p -64.14 -35.9 82.28 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.1 -47.23 86.76 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.713 2.005 . . . . 0.0 111.068 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -68.1 -38.8 82.71 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.449 -0.782 . . . . 0.0 112.151 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -57.38 -38.97 89.62 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.225 0.917 . . . . 0.0 113.28 169.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -68.89 1.82 3.09 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.406 1.882 . . . . 0.0 115.175 172.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 86.09 17.74 0.11 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 128.929 2.892 . . . . 0.0 113.768 169.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -68.65 -4.87 17.15 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 70.53 32.46 67.72 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 120.699 -1.251 . . . . 0.0 114.95 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 64.82 14.49 9.23 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.663 1.985 . . . . 0.0 114.556 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -62.41 161.1 12.22 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 120.732 -1.23 . . . . 0.0 112.872 171.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.84 -15.2 54.85 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.59 1.156 . . . . 0.0 113.366 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 48.7 m -68.32 94.01 0.51 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.5 1.92 . . . . 0.0 112.393 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -67.95 -14.51 63.02 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.283 1.833 . . . . 0.0 113.054 173.033 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttp . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -96.21 83.11 3.54 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.379 1.072 . . . . 0.0 110.5 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.17 136.03 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.358 1.463 . . . . 0.0 110.186 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.9 m -82.39 132.65 35.21 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.768 -0.583 . . . . 0.0 109.486 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.71 149.54 28.02 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.586 1.554 . . . . 0.0 111.011 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -138.03 136.73 37.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.113 1.765 . . . . 0.0 111.296 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 p -99.4 164.63 12.03 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.264 1.426 . . . . 0.0 111.696 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -68.09 -15.74 63.72 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.63 6.28 15.58 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.737 1.215 . . . . 0.0 111.889 169.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 62.57 23.49 13.96 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 128.07 2.548 . . . . 0.0 113.984 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -86.52 152.71 22.41 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.746 0.818 . . . . 0.0 109.566 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -132.45 144.8 50.73 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.015 0.912 . . . . 0.0 112.957 -177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -146.05 -174.98 4.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.825 2.45 . . . . 0.0 109.864 -172.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 153.39 50.31 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.825 -1.172 . . . . 0.0 112.133 169.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mm -135.74 113.39 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 126.385 1.874 . . . . 0.0 109.84 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -75.77 97.96 4.0 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.091 1.756 . . . . 0.0 110.558 169.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.7 tp -124.28 151.68 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.943 1.697 . . . . 0.0 111.884 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.26 114.72 49.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 O-C-N 121.282 -0.886 . . . . 0.0 111.351 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -72.68 -16.55 26.7 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.123 2.549 . . . . 0.0 114.185 -172.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -75.41 -18.98 59.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.966 1.306 . . . . 0.0 112.905 171.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.78 172.09 14.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.188 0.995 . . . . 0.0 111.695 171.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 29.9 p -89.74 173.86 8.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 122.564 1.173 . . . . 0.0 113.502 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 53' ' ' LEU . 76.9 t -56.12 -29.51 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.503 1.521 . . . . 0.0 112.497 175.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -57.62 -37.66 73.66 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.37 1.068 . . . . 0.0 112.238 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.55 66.68 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.792 0.837 . . . . 0.0 112.956 174.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.38 -55.23 33.95 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.553 -1.342 . . . . 0.0 110.376 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -51.01 -44.24 60.97 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.818 1.247 . . . . 0.0 113.491 170.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -47.17 83.17 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.414 1.006 . . . . 0.0 112.411 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.14 -36.92 77.97 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.429 0.691 . . . . 0.0 112.623 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.3 mt -59.54 -51.27 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.005 0.922 . . . . 0.0 110.806 170.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.03 -46.52 88.0 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.453 0.701 . . . . 0.0 111.619 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.3 t -57.44 -46.0 84.08 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.74 1.216 . . . . 0.0 112.754 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.48 -56.33 7.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.54 1.136 . . . . 0.0 112.749 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.22 -18.35 30.51 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.47 154.63 30.89 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.872 2.177 . . . . 0.0 113.24 -175.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.18 -30.23 70.66 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.704 1.202 . . . . 0.0 113.646 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.49 -34.2 76.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.788 0.722 . . . . 0.0 112.692 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.17 -56.33 4.66 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.824 0.85 . . . . 0.0 111.609 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -142.77 81.03 13.53 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.041 1.337 . . . . 0.0 111.946 -171.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.54 139.55 25.72 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 123.132 2.555 . . . . 0.0 110.683 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.7 t -50.11 -48.88 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.305 1.042 . . . . 0.0 112.349 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.05 -18.16 63.98 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.83 -19.63 12.86 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.489 1.518 . . . . 0.0 114.271 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -68.79 149.3 49.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.532 1.133 . . . . 0.0 113.257 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 75' ' ' THR . 85.6 mttt -134.92 146.29 49.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.231 2.213 . . . . 0.0 108.114 167.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.1 124.54 39.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.81 1.644 . . . . 0.0 110.282 -169.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -132.61 127.14 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.193 1.397 . . . . 0.0 110.868 -169.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -132.63 143.55 49.75 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.813 1.245 . . . . 0.0 111.124 172.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.97 27.21 3.09 Favored 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.6 32.41 74.72 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.918 1.723 . . . . 0.0 114.665 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -134.21 129.46 35.77 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.422 2.289 . . . . 0.0 110.87 170.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -69.4 125.3 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.617 -0.677 . . . . 0.0 110.35 172.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' HB3' HG21 ' A' ' 23' ' ' VAL . 29.3 mt -72.2 129.2 37.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.656 1.582 . . . . 0.0 110.946 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -78.3 131.16 36.94 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.61 -18.91 22.49 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.53 1.932 . . . . 0.0 115.583 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -111.18 3.41 18.46 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.677 1.591 . . . . 0.0 113.213 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -107.98 140.9 40.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.948 1.699 . . . . 0.0 110.072 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.94 155.71 38.38 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.49 -29.66 70.34 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.205 -0.935 . . . . 0.0 112.833 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -48.92 -38.56 23.15 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.585 1.954 . . . . 0.0 113.193 169.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -67.45 -15.02 63.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.76 1.624 . . . . 0.0 114.493 -173.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -115.8 0.55 13.19 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.782 1.633 . . . . 0.0 112.561 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 45.05 41.23 5.29 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.975 2.51 . . . . 0.0 113.812 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.56 134.86 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.44 1.496 . . . . 0.0 109.631 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.27 156.0 17.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.164 0.986 . . . . 0.0 111.168 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -70.73 -34.3 71.75 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.887 0.875 . . . . 0.0 112.59 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -79.04 -35.43 42.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.952 1.701 . . . . 0.0 112.58 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -71.14 163.1 28.29 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.632 0.773 . . . . 0.0 110.004 170.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -111.79 144.46 41.05 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.681 0.753 . . . . 0.0 112.698 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.69 157.29 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 126.134 1.773 . . . . 0.0 108.497 169.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.2 t -106.91 123.96 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.644 -0.66 . . . . 0.0 110.445 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.61 136.82 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.269 1.427 . . . . 0.0 109.608 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.8 ptm -135.63 163.05 31.03 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.679 1.191 . . . . 0.0 111.127 171.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p -134.2 123.66 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.219 1.408 . . . . 0.0 109.326 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.42 HG21 ' HE3' ' A' ' 45' ' ' LYS . 73.9 p -76.67 165.19 25.09 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -174.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt 23.84 80.01 0.2 Allowed Pre-proline 0 N--CA 1.483 1.18 0 C-N-CA 129.653 3.181 . . . . 0.0 115.179 172.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.89 165.1 1.31 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.407 3.405 . . . . 0.0 115.64 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -68.22 -9.85 50.17 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.31 103.23 1.92 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.607 1.963 . . . . 0.0 112.295 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.2 m 39.16 56.58 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 127.867 2.467 . . . . 0.0 114.507 174.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.7 t -57.64 -38.24 74.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.315 1.446 . . . . 0.0 114.6 -171.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.9 p -134.22 158.56 74.99 Favored Pre-proline 0 N--CA 1.48 1.067 0 C-N-CA 125.334 1.454 . . . . 0.0 112.684 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -59.37 150.17 76.64 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.563 2.842 . . . . 0.0 114.347 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -147.65 -66.62 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.058 0 C-N-CA 124.795 1.238 . . . . 0.0 112.888 169.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -75.86 -9.67 19.63 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.599 2.199 . . . . 0.0 115.436 -176.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.97 59.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.859 1.663 . . . . 0.0 112.788 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.7 t -161.67 158.98 26.86 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.542 1.937 . . . . 0.0 110.38 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.79 -23.31 66.12 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.067 1.347 . . . . 0.0 112.49 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.41 72.64 3.15 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.674 1.19 . . . . 0.0 110.862 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -64.93 -1.37 1.97 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.458 1.903 . . . . 0.0 115.262 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -55.64 144.79 25.53 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.272 1.429 . . . . 0.0 114.309 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -142.57 143.89 32.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.228 2.211 . . . . 0.0 108.281 169.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -64.75 156.81 29.29 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.588 0.708 . . . . 0.0 112.175 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -81.57 -4.91 57.35 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.143 0 C-N-CA 126.016 1.726 . . . . 0.0 114.998 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 112.013 -0.435 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 47.6 m -72.12 72.05 0.87 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.987 1.715 . . . . 0.0 112.952 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -74.5 -7.29 52.54 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.066 1.747 . . . . 0.0 115.105 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 34.7 tpp -64.32 154.34 35.6 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.837 1.255 . . . . 0.0 113.412 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 39.5 p -75.08 -0.03 17.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.673 1.989 . . . . 0.0 115.552 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 84.0 mt -52.94 119.86 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.925 1.69 . . . . 0.0 110.699 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 68.5 m -120.87 168.72 11.17 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.98 1.712 . . . . 0.0 112.262 -175.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -66.16 163.4 17.75 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.351 1.06 . . . . 0.0 112.644 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -132.27 155.87 47.54 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.904 1.682 . . . . 0.0 110.852 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -108.61 0.06 20.52 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.88 1.272 . . . . 0.0 113.737 -173.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -59.93 133.59 56.24 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.034 1.334 . . . . 0.0 112.849 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -104.32 -169.29 24.84 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.819 1.676 . . . . 0.0 114.863 -172.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -132.27 154.25 49.85 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.85 2.06 . . . . 0.0 110.887 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 21.9 m -58.95 144.88 43.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.076 1.35 . . . . 0.0 110.851 169.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -171.71 -176.71 40.87 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.475 1.512 . . . . 0.0 112.817 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.18 129.51 88.64 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.509 1.124 . . . . 0.0 111.576 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -62.18 166.34 12.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.129 2.553 . . . . 0.0 114.111 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -81.32 54.29 2.26 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.383 1.473 . . . . 0.0 109.986 168.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 10.6 mp 68.97 0.52 2.8 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 129.8 3.24 . . . . 0.0 115.998 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 45.5 m -57.81 -37.07 73.12 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 19.4 m -100.17 -21.37 15.56 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -175.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -79.81 133.08 36.27 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -172.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 63.5 p -65.62 172.73 3.19 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.246 1.018 . . . . 0.0 111.429 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.36 -40.83 78.93 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 120.82 -1.175 . . . . 0.0 111.717 171.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -63.57 -43.43 97.03 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.956 1.302 . . . . 0.0 112.66 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.19 -38.04 78.45 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.148 -0.97 . . . . 0.0 112.698 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -60.2 -44.68 94.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.043 0.937 . . . . 0.0 111.256 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 56.1 mt -58.57 -51.29 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.27 1.028 . . . . 0.0 111.176 171.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -56.23 -39.37 72.42 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.503 1.047 . . . . 0.0 112.823 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.94 -47.39 83.43 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.573 0.749 . . . . 0.0 112.292 169.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.01 75.43 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 9.3 mmt -55.9 -56.7 17.52 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.994 1.318 . . . . 0.0 111.085 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -58.89 -41.46 87.18 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.739 0.816 . . . . 0.0 112.494 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 35.7 ttp -65.35 -44.72 86.8 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.661 -0.649 . . . . 0.0 111.752 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 28.9 p -64.2 -31.31 72.45 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.92 -38.16 87.37 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.147 0.979 . . . . 0.0 111.921 170.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -65.8 -10.8 40.79 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 170.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -75.95 -14.39 82.25 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.773 1.177 . . . . 0.0 112.971 169.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -100.2 -131.5 0.24 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.944 2.098 . . . . 0.0 109.957 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -81.31 -15.88 54.11 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -76.51 -4.54 43.26 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -67.76 -7.39 48.2 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.564 1.554 . . . . 0.0 116.009 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -124.9 5.7 8.03 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.881 1.673 . . . . 0.0 114.113 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -64.73 150.29 47.59 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.112 0.965 . . . . 0.0 113.173 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -73.92 -35.72 64.63 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.313 1.045 . . . . 0.0 112.616 177.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 42.4 m 58.6 0.79 0.15 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 128.219 2.607 . . . . 0.0 117.264 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -69.39 167.52 16.36 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.138 1.375 . . . . 0.0 113.2 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.825 2.05 . . . . 0.0 112.604 177.78 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 ttp . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.579 0.704 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -86.31 78.06 9.38 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.956 1.302 . . . . 0.0 111.179 -173.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.94 130.65 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.024 0.929 . . . . 0.0 109.215 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.6 m -79.89 134.83 36.32 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 169.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.05 152.17 26.28 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.562 1.545 . . . . 0.0 111.163 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -139.35 139.16 37.16 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.103 1.761 . . . . 0.0 111.475 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 p -100.63 167.9 10.04 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.997 1.319 . . . . 0.0 112.364 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.0 mt -67.72 -26.68 66.27 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.194 -0.941 . . . . 0.0 113.083 169.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -74.62 4.42 6.21 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.184 0.994 . . . . 0.0 111.925 169.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 66.43 23.05 10.64 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.5 2.32 . . . . 0.0 113.522 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -89.21 158.88 17.71 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.347 1.459 . . . . 0.0 110.195 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.8 p -138.76 146.91 41.99 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.68 0.792 . . . . 0.0 112.87 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -150.51 -171.62 3.97 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.384 2.273 . . . . 0.0 110.09 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -127.63 155.16 44.32 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.917 -1.114 . . . . 0.0 112.516 169.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.4 mm -132.25 107.94 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 127.332 2.253 . . . . 0.0 108.606 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -75.37 100.7 4.51 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.37 169.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tp -120.61 150.33 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.396 1.879 . . . . 0.0 110.773 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -72.5 118.1 64.74 Favored Pre-proline 0 CA--C 1.552 1.032 0 O-C-N 121.075 -1.015 . . . . 0.0 110.77 174.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.84 -14.06 26.71 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.893 2.395 . . . . 0.0 114.603 -172.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -87.94 -13.38 41.98 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.167 -0.958 . . . . 0.0 112.44 173.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -79.67 175.23 10.8 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 122.112 0.958 . . . . 0.0 110.308 168.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 30.1 p -93.98 173.88 7.44 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -170.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' A' ' 53' ' ' LEU . 81.5 t -61.42 -31.83 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.886 0.874 . . . . 0.0 111.385 174.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -60.6 -36.78 79.41 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.987 -1.071 . . . . 0.0 112.403 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -37.81 82.49 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 118.744 0.702 . . . . 0.0 112.773 172.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.64 -54.75 42.43 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.943 -1.098 . . . . 0.0 110.96 169.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.57 -42.92 45.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.576 1.15 . . . . 0.0 113.231 171.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -54.59 29.46 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.7 1.6 . . . . 0.0 112.363 171.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -68.85 -34.48 75.54 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.626 -0.671 . . . . 0.0 112.491 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.27 -50.06 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.27 1.028 . . . . 0.0 110.858 169.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.94 -43.76 86.55 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.819 0.848 . . . . 0.0 111.293 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -61.3 -49.1 78.4 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.871 1.269 . . . . 0.0 112.714 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -66.61 -58.54 4.95 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.866 1.266 . . . . 0.0 112.713 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -85.03 -14.97 45.67 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.935 1.294 . . . . 0.0 114.011 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.91 140.25 6.75 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.639 2.066 . . . . 0.0 112.273 -174.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -25.07 66.85 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.348 1.059 . . . . 0.0 113.479 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.1 -31.43 72.29 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.726 1.61 . . . . 0.0 111.905 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.59 -49.14 6.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.796 1.239 . . . . 0.0 111.837 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.63 79.16 35.52 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.825 1.65 . . . . 0.0 111.845 -173.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.58 143.88 39.0 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.821 2.348 . . . . 0.0 110.095 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.9 t -51.34 -44.03 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 120.752 -1.218 . . . . 0.0 110.769 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -0.53 3.89 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.02 1.728 . . . . 0.0 115.59 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.59 -19.96 1.14 Allowed Glycine 0 N--CA 1.477 1.399 0 C-N-CA 125.317 1.437 . . . . 0.0 115.073 174.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -63.43 146.92 52.61 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.56 1.18 . . . . 0.0 114.162 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -133.44 144.03 49.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.298 2.239 . . . . 0.0 108.692 168.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -125.35 124.27 41.18 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 126.667 1.987 . . . . 0.0 110.001 -169.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -131.8 126.8 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.084 1.353 . . . . 0.0 110.456 -171.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -132.72 139.7 47.75 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.072 1.349 . . . . 0.0 111.303 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.35 26.9 3.31 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.32 17.55 77.76 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 126.502 2.001 . . . . 0.0 115.346 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -127.04 128.17 45.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.738 2.015 . . . . 0.0 110.943 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mt -69.29 124.6 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.614 0.766 . . . . 0.0 110.165 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' HB3' HG21 ' A' ' 23' ' ' VAL . 32.3 mt -68.67 128.34 36.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.921 1.688 . . . . 0.0 111.461 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -70.58 122.19 19.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.11 1.364 . . . . 0.0 111.999 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -49.05 -42.63 39.09 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.913 1.685 . . . . 0.0 114.865 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -89.53 -12.82 38.85 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.561 1.545 . . . . 0.0 113.84 -175.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.3 m -82.57 143.51 30.99 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.471 1.109 . . . . 0.0 110.606 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.91 152.24 35.43 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.97 -36.9 85.03 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.323 -0.861 . . . . 0.0 112.884 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -54.11 -26.29 26.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.638 1.575 . . . . 0.0 114.612 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -70.42 -22.5 62.72 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.22 1.008 . . . . 0.0 113.025 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -100.96 -3.12 30.13 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.232 1.813 . . . . 0.0 112.56 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mptt 47.5 36.94 5.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 128.09 2.556 . . . . 0.0 113.767 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 mt -58.79 139.15 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.21 1.404 . . . . 0.0 109.16 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -108.93 161.62 14.97 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.814 1.246 . . . . 0.0 111.032 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.88 -38.0 82.5 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.164 -0.96 . . . . 0.0 112.852 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -75.63 -36.04 60.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.223 1.409 . . . . 0.0 113.122 -177.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -70.78 158.97 35.4 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.686 1.194 . . . . 0.0 110.733 171.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -117.07 139.96 50.07 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.62 158.97 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 126.272 1.829 . . . . 0.0 108.717 169.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.6 t -110.67 132.38 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 122.988 0.515 . . . . 0.0 110.228 172.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -114.61 137.48 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 125.646 1.578 . . . . 0.0 110.292 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.1 ptm -135.72 168.94 18.35 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.186 1.394 . . . . 0.0 111.372 170.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 p -131.53 107.26 13.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 124.949 1.3 . . . . 0.0 110.137 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.9 p -80.4 173.31 12.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.648 0.779 . . . . 0.0 111.093 170.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -55.79 117.56 16.12 Favored Pre-proline 0 N--CA 1.479 0.995 0 CA-C-O 117.376 -1.297 . . . . 0.0 109.845 170.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.83 157.64 12.46 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.873 2.382 . . . . 0.0 115.87 -173.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -93.3 -0.71 56.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.766 1.226 . . . . 0.0 113.018 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.83 60.6 1.56 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.181 2.192 . . . . 0.0 111.386 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.1 p -139.85 156.64 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 125.914 1.686 . . . . 0.0 110.827 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.0 m 61.13 4.25 0.83 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.873 2.069 . . . . 0.0 115.529 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 p -70.62 154.43 94.37 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 126.289 1.836 . . . . 0.0 112.648 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.55 172.93 15.37 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.61 2.873 . . . . 0.0 112.415 174.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.58 73.8 16.58 Favored Pre-proline 0 CA--C 1.55 0.981 0 C-N-CA 126.206 1.802 . . . . 0.0 111.461 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -70.81 0.22 6.77 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.909 3.073 . . . . 0.0 115.199 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.34 -11.74 61.07 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.059 1.744 . . . . 0.0 113.842 169.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.6 t -130.63 -176.68 4.06 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.341 1.857 . . . . 0.0 111.42 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.38 66.53 0.46 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.956 2.103 . . . . 0.0 110.84 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.25 145.49 56.16 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.951 1.7 . . . . 0.0 113.012 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -130.74 -17.65 3.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.073 2.149 . . . . 0.0 112.894 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -78.57 11.53 2.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.52 1.528 . . . . 0.0 114.868 -174.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -55.34 -14.03 1.67 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.778 1.631 . . . . 0.0 115.107 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -53.81 -26.53 24.58 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.687 1.595 . . . . 0.0 114.127 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -76.73 -1.36 27.56 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 . . . . . 0 C--O 1.253 1.274 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 179.036 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.831 -0.507 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 9.3 t -63.44 158.2 21.36 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.857 -0.79 . . . . 0.0 112.639 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 19.2 p80 49.55 -35.38 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.95 1 C-N-CA 132.557 4.343 . . . . 0.0 119.158 -177.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 76.9 mtm -69.45 -35.2 75.42 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.546 1.538 . . . . 0.0 113.468 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 10.3 m -80.68 63.95 5.28 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.985 1.314 . . . . 0.0 111.312 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -20.74 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.629 1.171 . . . . 0.0 113.885 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 53.0 p -68.99 -8.29 43.44 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.891 2.076 . . . . 0.0 114.806 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.68 -23.41 67.11 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.136 1.374 . . . . 0.0 114.092 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.1 110.67 5.91 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.401 1.081 . . . . 0.0 112.071 171.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -111.58 -10.69 14.11 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -150.24 169.24 21.82 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.846 1.258 . . . . 0.0 112.888 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -101.45 124.8 8.35 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.879 1.704 . . . . 0.0 111.856 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -73.0 -5.7 40.52 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -173.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 5.7 t -63.93 169.5 4.2 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.779 1.232 . . . . 0.0 113.212 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 72.61 70.4 1.23 Allowed Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.045 1.307 . . . . 0.0 112.769 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.08 152.03 63.34 Favored Pre-proline 0 CA--C 1.554 1.128 0 C-N-CA 124.823 1.249 . . . . 0.0 112.738 -178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -61.4 169.08 7.02 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.798 2.998 . . . . 0.0 115.926 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -82.93 49.78 1.59 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.81 1.644 . . . . 0.0 108.637 168.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 1.1 tp 61.75 -5.18 0.15 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 129.857 3.263 . . . . 0.0 116.217 -169.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 21.7 p -61.24 -57.21 13.32 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.846 1.659 . . . . 0.0 114.493 -172.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 49.3 m -95.57 4.54 53.05 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.221 1.408 . . . . 0.0 113.183 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 13.5 tpp -71.8 112.57 8.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.279 1.832 . . . . 0.0 112.251 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 44.8 p -64.97 155.72 33.58 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.501 0.721 . . . . 0.0 111.045 170.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.31 -38.37 76.94 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 120.957 -1.089 . . . . 0.0 113.489 -170.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.96 -36.9 85.02 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.737 0.815 . . . . 0.0 112.792 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.3 -31.82 54.95 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.354 -0.841 . . . . 0.0 112.291 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -61.14 -46.06 92.12 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.251 0.932 . . . . 0.0 110.463 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.44 -52.85 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.887 1.275 . . . . 0.0 110.74 171.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.05 76.5 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.887 1.221 . . . . 0.0 113.669 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -61.97 -46.23 90.16 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.541 1.136 . . . . 0.0 111.591 169.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.49 83.12 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.354 -0.841 . . . . 0.0 113.218 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 47.5 mtt -57.57 -51.3 70.05 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.277 1.031 . . . . 0.0 111.686 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -56.4 -44.54 80.37 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.052 0.941 . . . . 0.0 112.794 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.51 -48.81 76.05 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.839 0.745 . . . . 0.0 111.656 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 27.5 p -65.69 -26.47 67.79 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.12 -42.77 99.14 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.778 1.231 . . . . 0.0 110.93 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -71.49 -32.44 68.26 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 172.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -62.3 -27.28 69.01 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 123.912 0.768 . . . . 0.0 113.989 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -85.56 -73.56 0.44 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.638 1.975 . . . . 0.0 112.846 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -138.82 -17.21 1.09 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.945 1.832 . . . . 0.0 115.945 -169.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -92.62 11.56 26.18 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.759 1.223 . . . . 0.0 113.896 -175.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -76.31 83.06 0.99 Allowed Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.123 1.82 . . . . 0.0 113.471 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 53.06 41.27 32.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.433 1.893 . . . . 0.0 113.406 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -64.29 165.88 8.87 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.919 1.287 . . . . 0.0 113.268 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.64 -43.38 97.62 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.103 1.361 . . . . 0.0 113.116 -177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 78.4 p -151.58 168.38 25.13 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.594 1.558 . . . . 0.0 112.418 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -72.05 171.83 11.18 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.497 1.119 . . . . 0.0 112.837 172.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 125.953 1.701 . . . . 0.0 113.748 173.827 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 mtp . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -85.98 78.52 9.44 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.391 -0.818 . . . . 0.0 109.367 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.98 135.24 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.746 1.618 . . . . 0.0 109.847 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.2 m -82.37 134.87 35.26 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.611 -0.681 . . . . 0.0 110.082 169.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.93 151.16 27.43 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.206 1.803 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -137.95 126.62 23.69 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.241 1.817 . . . . 0.0 111.204 172.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 p -84.86 168.14 15.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.057 1.343 . . . . 0.0 112.156 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' B' ' 290' ' ' ALA . 34.3 mt -68.82 -23.88 64.32 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.06 -1.025 . . . . 0.0 113.572 171.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -77.92 6.42 7.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.007 0.923 . . . . 0.0 112.203 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 58.64 32.97 22.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.444 2.698 . . . . 0.0 114.356 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -88.98 149.38 23.3 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 169.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 p -129.85 139.58 51.17 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.932 0.872 . . . . 0.0 112.498 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -144.33 -179.62 6.65 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.152 2.181 . . . . 0.0 110.089 -173.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.45 149.35 50.61 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.146 -0.971 . . . . 0.0 111.424 169.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.2 mm -129.43 113.44 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.712 2.005 . . . . 0.0 109.286 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -77.44 97.2 4.89 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.783 1.233 . . . . 0.0 110.094 170.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -120.45 145.71 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 127.101 2.161 . . . . 0.0 111.293 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.72 121.8 68.7 Favored Pre-proline 0 CA--C 1.548 0.877 0 O-C-N 121.391 -0.818 . . . . 0.0 110.25 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.99 -27.96 80.11 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.475 2.783 . . . . 0.0 114.269 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -74.08 -17.84 60.9 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.199 1.8 . . . . 0.0 114.12 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -75.95 -10.37 59.37 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 32.7 p 82.17 174.03 0.1 Allowed 'General case' 0 N--CA 1.483 1.212 1 C-N-CA 132.273 4.229 . . . . 0.0 114.044 177.232 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.64 -33.34 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 120.743 -1.223 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -62.47 -26.49 68.55 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.998 -1.063 . . . . 0.0 112.757 173.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.41 -31.88 42.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.082 0.953 . . . . 0.0 113.299 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 tp -56.48 -51.35 68.78 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.652 -1.28 . . . . 0.0 108.782 169.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -53.84 -42.57 68.65 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.77 1.628 . . . . 0.0 113.611 169.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -43.65 96.77 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.353 1.433 . . . . 0.0 112.944 174.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -63.17 -46.15 88.49 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.329 1.051 . . . . 0.0 112.138 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -58.01 -49.75 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.534 1.134 . . . . 0.0 110.805 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -50.21 69.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.737 1.215 . . . . 0.0 112.038 174.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -60.45 -47.93 83.97 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.703 1.201 . . . . 0.0 112.906 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -70.43 -53.84 14.8 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.326 1.451 . . . . 0.0 112.72 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -88.89 -15.62 33.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -169.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.19 122.69 3.62 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.172 1.844 . . . . 0.0 112.896 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 pttm -53.17 -33.1 51.09 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.234 1.414 . . . . 0.0 114.609 -172.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.5 -33.37 75.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.126 0.57 . . . . 0.0 112.261 -172.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.88 -24.73 14.57 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.627 1.171 . . . . 0.0 112.951 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -131.54 68.15 80.74 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 126.651 1.98 . . . . 0.0 111.612 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.09 139.05 11.68 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.963 2.442 . . . . 0.0 111.626 -176.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -51.98 -46.2 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 120.928 -1.107 . . . . 0.0 111.54 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 -2.64 13.12 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.49 -16.97 2.21 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 126.016 1.77 . . . . 0.0 115.329 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -67.35 137.31 55.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.213 1.506 . . . . 0.0 112.449 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -121.29 149.17 43.31 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.583 1.553 . . . . 0.0 109.066 168.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.49 124.16 28.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 126.233 1.813 . . . . 0.0 109.395 -169.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.94 120.73 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.054 1.342 . . . . 0.0 110.486 -169.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -127.75 147.7 50.41 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.274 1.03 . . . . 0.0 111.567 169.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.22 26.53 2.99 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.953 1.301 . . . . 0.0 114.26 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.72 19.28 79.71 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.161 1.362 . . . . 0.0 115.141 -174.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -127.0 129.82 48.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.51 1.924 . . . . 0.0 111.29 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -67.66 127.12 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.492 0.717 . . . . 0.0 110.545 175.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -75.64 138.68 41.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.744 1.617 . . . . 0.0 111.857 -176.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -73.07 122.09 21.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.786 1.235 . . . . 0.0 110.829 175.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.08 -33.56 26.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.398 1.479 . . . . 0.0 114.483 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -100.25 -3.66 31.0 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.0 m -88.19 145.34 25.96 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.511 1.125 . . . . 0.0 110.291 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -74.26 153.82 39.23 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.082 -1.011 . . . . 0.0 113.408 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.47 -29.95 70.67 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.114 0.966 . . . . 0.0 113.019 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -58.16 -35.14 71.11 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.733 1.613 . . . . 0.0 113.026 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.0 -17.48 64.47 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.035 1.334 . . . . 0.0 113.829 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -107.17 -0.11 22.97 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.041 1.737 . . . . 0.0 112.668 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 47.71 36.58 5.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.815 2.446 . . . . 0.0 114.017 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.56 146.28 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.148 1.379 . . . . 0.0 108.972 171.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -122.89 163.68 19.88 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.079 1.352 . . . . 0.0 111.279 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.7 -27.96 60.61 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.321 -0.862 . . . . 0.0 112.573 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -79.31 -37.88 36.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.548 1.539 . . . . 0.0 112.953 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -74.26 168.07 20.35 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.085 1.354 . . . . 0.0 111.24 173.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -116.18 141.73 47.76 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.575 0.75 . . . . 0.0 112.371 173.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.75 161.94 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.17 1.788 . . . . 0.0 109.582 169.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.8 t -112.22 133.39 58.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 O-C-N 121.739 -0.6 . . . . 0.0 110.465 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -121.29 140.52 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.38 1.472 . . . . 0.0 111.323 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -141.78 173.38 11.56 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.722 1.609 . . . . 0.0 111.65 173.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 p -130.82 103.95 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.948 1.299 . . . . 0.0 110.084 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 p -77.88 172.99 12.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.784 1.234 . . . . 0.0 111.249 172.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -58.56 115.62 12.27 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-O 117.907 -1.045 . . . . 0.0 110.304 170.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.75 162.77 10.16 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.912 2.408 . . . . 0.0 115.607 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -118.77 -2.67 10.87 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 175.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 47.93 -158.5 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.001 1.72 . . . . 0.0 113.371 -171.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.6 m -129.92 163.15 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.982 1.713 . . . . 0.0 111.572 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 m -70.27 -30.95 68.11 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -81.88 164.19 49.92 Favored Pre-proline 0 N--CA 1.476 0.87 0 C-N-CA 125.97 1.708 . . . . 0.0 112.401 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -53.86 139.15 69.45 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.206 2.604 . . . . 0.0 112.639 169.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -144.13 158.23 55.6 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 124.955 1.302 . . . . 0.0 112.35 -175.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.26 5.1 5.68 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 124.166 3.244 . . . . 0.0 114.676 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.94 99.36 1.05 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.069 1.747 . . . . 0.0 111.408 173.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.6 p -70.1 -15.83 63.03 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.846 1.258 . . . . 0.0 114.394 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.1 tp 55.84 14.63 1.39 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.898 2.079 . . . . 0.0 114.15 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 52.56 28.86 6.46 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.869 2.068 . . . . 0.0 114.28 -176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -65.44 166.72 9.8 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.845 -1.16 . . . . 0.0 113.192 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.67 157.46 44.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.141 1.377 . . . . 0.0 112.33 176.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -69.01 0.55 4.41 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -170.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -66.62 -7.45 20.52 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.12 1.368 . . . . 0.0 114.413 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -61.33 171.37 1.42 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.038 1.335 . . . . 0.0 113.538 171.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.0 m80 . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.374 1.47 . . . . 0.0 113.088 174.146 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 12.4 t -69.4 164.99 21.75 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.391 1.076 . . . . 0.0 113.044 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 166.3 3.79 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.77 1.628 . . . . 0.0 113.488 169.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 62.5 mtt -121.92 -3.42 9.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.185 1.394 . . . . 0.0 113.896 -175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 34.4 p -65.29 -21.1 66.68 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.16 1.384 . . . . 0.0 114.245 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -9.56 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.455 1.502 . . . . 0.0 114.317 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 80.9 p -66.22 -13.03 59.67 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 173.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -64.71 170.64 3.95 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.377 1.471 . . . . 0.0 114.009 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -139.82 109.68 6.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.516 1.526 . . . . 0.0 110.695 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -23.65 48.46 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 170.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -65.86 156.43 33.37 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.307 1.443 . . . . 0.0 112.934 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 111.59 -9.97 28.13 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 126.052 1.786 . . . . 0.0 114.524 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -132.04 77.04 1.74 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.757 2.023 . . . . 0.0 109.799 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 24.6 p -127.95 -63.51 1.01 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.786 1.634 . . . . 0.0 111.974 -170.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 71.79 -173.25 44.86 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.934 1.254 . . . . 0.0 113.945 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 15.4 tp -138.46 116.9 9.37 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.496 1.518 . . . . 0.0 110.47 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -77.77 170.76 18.51 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.888 3.058 . . . . 0.0 113.134 -177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -79.23 45.77 0.67 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.277 1.831 . . . . 0.0 110.697 169.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.8 mp 64.09 4.96 2.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 129.464 3.106 . . . . 0.0 115.677 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 23.3 p -59.87 -55.99 27.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.384 1.474 . . . . 0.0 113.965 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 48.8 m -96.59 -5.71 38.5 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.425 1.49 . . . . 0.0 113.661 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -75.63 123.04 24.85 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.747 1.619 . . . . 0.0 111.951 -172.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 81.4 p -62.71 162.64 10.43 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.651 0.78 . . . . 0.0 112.221 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -61.38 -36.39 80.1 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.247 -0.908 . . . . 0.0 112.042 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -65.34 -43.77 89.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.116 1.366 . . . . 0.0 112.76 173.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -69.08 -37.67 78.6 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.145 -0.972 . . . . 0.0 112.368 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -58.9 -45.16 90.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.939 0.895 . . . . 0.0 111.49 170.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 34.0 mt -56.89 -53.95 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.213 1.005 . . . . 0.0 111.0 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.21 77.36 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.841 1.201 . . . . 0.0 113.506 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -61.37 -44.51 97.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.489 1.115 . . . . 0.0 111.808 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 290' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -57.05 -48.08 79.41 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.772 0.829 . . . . 0.0 112.337 170.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 42.2 mtt -57.42 -45.32 84.74 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.971 1.308 . . . . 0.0 112.284 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -58.31 -46.69 85.68 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.895 0.77 . . . . 0.0 112.504 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 79.0 mtm -66.16 -39.77 90.02 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.665 0.666 . . . . 0.0 111.894 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 20.7 t -58.4 -40.7 83.12 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.511 1.524 . . . . 0.0 113.502 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 75.9 mt -59.71 -38.41 81.57 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.213 1.005 . . . . 0.0 112.258 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.79 -44.64 73.2 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.752 0.706 . . . . 0.0 111.696 173.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.52 -27.2 65.57 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.846 1.212 . . . . 0.0 114.589 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -74.89 20.07 0.13 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 127.279 2.232 . . . . 0.0 114.041 169.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 56.49 58.38 4.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.005 2.122 . . . . 0.0 111.874 -169.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 51.15 50.94 18.0 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.609 1.963 . . . . 0.0 113.369 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -63.49 -9.77 32.95 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.116 1.817 . . . . 0.0 115.462 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -55.19 -26.5 39.52 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.597 1.559 . . . . 0.0 113.086 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -59.49 -18.71 42.31 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.079 1.351 . . . . 0.0 114.372 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -62.46 -16.4 55.12 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.928 1.291 . . . . 0.0 113.194 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 88.0 p -65.62 -16.61 63.89 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.94 160.49 30.72 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.263 1.025 . . . . 0.0 113.143 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.405 1.882 . . . . 0.0 112.714 176.873 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.8 ttp . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 121.61 0.719 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -84.93 75.74 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.935 1.294 . . . . 0.0 111.48 -171.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.16 119.3 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.026 1.33 . . . . 0.0 109.819 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.5 m -79.56 141.02 37.0 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.963 0.411 . . . . 0.0 110.579 170.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 mt -118.04 153.58 33.46 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.049 1.74 . . . . 0.0 111.595 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -134.16 123.94 25.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.702 2.001 . . . . 0.0 110.298 169.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 p -81.16 167.61 19.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.977 1.311 . . . . 0.0 112.114 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' B' ' 290' ' ' ALA . 52.1 mt -68.09 -22.35 64.91 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.025 -1.047 . . . . 0.0 113.692 170.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -79.39 5.66 12.08 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.056 1.343 . . . . 0.0 112.07 169.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 57.89 34.09 23.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.126 2.57 . . . . 0.0 114.316 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -89.34 149.21 23.12 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.893 1.277 . . . . 0.0 108.668 169.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 p -131.65 138.69 48.85 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.788 0.722 . . . . 0.0 112.67 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -144.67 171.36 14.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.481 1.912 . . . . 0.0 110.796 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -125.81 144.29 50.7 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.539 1.136 . . . . 0.0 111.964 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 mm -130.94 111.95 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.67 1.988 . . . . 0.0 109.171 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -77.45 70.66 3.86 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 122.153 0.978 . . . . 0.0 111.657 175.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 tp -78.65 150.12 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 125.517 1.527 . . . . 0.0 111.61 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -77.15 113.48 31.2 Favored Pre-proline 0 CA--C 1.554 1.115 0 O-C-N 120.938 -1.101 . . . . 0.0 111.179 172.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -70.07 -12.74 32.87 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.517 2.812 . . . . 0.0 113.807 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -72.11 -23.25 61.29 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.674 1.124 . . . . 0.0 112.237 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -84.67 176.46 8.56 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.056 1.342 . . . . 0.0 112.128 175.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.6 p -93.58 174.67 7.07 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.253 1.021 . . . . 0.0 113.587 -174.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.55 -32.02 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.159 0.983 . . . . 0.0 111.869 174.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -56.79 -39.41 74.05 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.152 -0.968 . . . . 0.0 112.069 171.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.53 -35.35 73.1 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 tp -54.11 -54.61 37.11 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.504 1.047 . . . . 0.0 110.563 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -51.61 -44.03 62.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.123 0.969 . . . . 0.0 113.549 171.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -44.96 87.49 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.676 1.19 . . . . 0.0 112.772 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -65.32 -44.26 88.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.597 1.159 . . . . 0.0 112.508 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.63 -50.62 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.873 0.869 . . . . 0.0 110.745 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.95 -43.76 91.31 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.449 0.699 . . . . 0.0 111.57 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.5 m -61.42 -44.69 96.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.132 0.973 . . . . 0.0 113.006 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.9 -58.11 3.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.465 1.106 . . . . 0.0 112.53 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -76.31 -20.03 57.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.635 1.174 . . . . 0.0 113.705 -174.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.91 141.15 6.51 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.422 1.963 . . . . 0.0 112.317 -172.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -58.91 -21.78 58.34 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.552 2.341 . . . . 0.0 114.24 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -64.18 -35.63 81.41 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.61 1.164 . . . . 0.0 112.899 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.23 -50.42 5.28 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.039 1.336 . . . . 0.0 112.105 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -137.09 80.2 35.77 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 125.676 1.59 . . . . 0.0 111.597 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.81 148.57 58.56 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.415 2.076 . . . . 0.0 110.007 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -54.32 -45.8 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 O-C-N 120.568 -1.333 . . . . 0.0 111.422 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.9 -13.68 62.11 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.254 1.575 . . . . 0.0 115.254 -177.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.86 -23.22 4.03 Favored Glycine 0 N--CA 1.476 1.31 0 C-N-CA 124.78 1.181 . . . . 0.0 114.896 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -75.42 147.25 40.1 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.706 1.253 . . . . 0.0 111.983 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -128.22 151.71 48.94 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.586 1.554 . . . . 0.0 110.448 170.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -125.41 123.64 39.73 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 127.298 2.239 . . . . 0.0 109.576 -169.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.63 122.43 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.929 1.291 . . . . 0.0 110.531 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -128.37 146.54 50.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.522 1.129 . . . . 0.0 111.434 171.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.87 25.74 1.7 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.49 13.14 82.13 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.011 1.291 . . . . 0.0 115.395 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -126.33 134.89 50.97 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.791 1.637 . . . . 0.0 111.388 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.2 126.27 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 123.605 0.762 . . . . 0.0 110.761 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -69.0 125.24 26.04 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.121 1.768 . . . . 0.0 111.011 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -70.6 122.54 19.93 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.854 0.862 . . . . 0.0 111.533 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -49.55 -45.85 48.03 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.433 1.493 . . . . 0.0 113.978 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -77.62 -17.23 57.99 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.123 1.369 . . . . 0.0 114.298 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.0 m -82.69 145.3 29.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.385 1.074 . . . . 0.0 110.775 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.62 155.57 33.39 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.242 -0.911 . . . . 0.0 113.446 -177.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.69 -33.09 75.13 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.01 -29.51 69.75 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.866 1.266 . . . . 0.0 113.805 175.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.93 -20.28 66.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.592 1.157 . . . . 0.0 113.091 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -107.1 0.47 23.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.486 1.914 . . . . 0.0 112.608 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 tttm 43.6 40.61 2.99 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.616 2.766 . . . . 0.0 115.069 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.9 mt -58.77 136.85 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.314 1.446 . . . . 0.0 110.254 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -102.84 159.78 15.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.779 1.232 . . . . 0.0 111.736 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -78.13 -40.67 37.39 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -80.79 -32.66 35.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.917 1.287 . . . . 0.0 112.181 -175.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -76.42 168.92 19.2 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.955 0.502 . . . . 0.0 110.659 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -117.77 144.86 44.94 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -97.13 161.43 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 126.371 1.869 . . . . 0.0 108.115 169.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.5 t -103.18 127.82 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.321 -0.862 . . . . 0.0 110.054 173.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.5 141.26 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.142 1.377 . . . . 0.0 109.309 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -137.2 167.75 20.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.729 1.212 . . . . 0.0 111.05 170.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.8 p -137.08 123.63 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.846 1.259 . . . . 0.0 109.867 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -69.72 154.31 42.16 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -174.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' H ' ' CD ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -131.91 -37.2 0.03 OUTLIER Pre-proline 0 N--CA 1.479 0.991 0 C-N-CA 126.564 1.945 . . . . 0.0 114.454 176.047 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.458 ' CD ' ' H ' ' A' ' 76' ' ' LYS . 78.2 Cg_exo -57.7 170.52 1.9 Allowed 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 123.359 2.706 . . . . 0.0 114.404 170.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.0 pttt 47.46 7.53 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 130.471 3.509 . . . . 0.0 118.529 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.9 86.55 1.77 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.984 1.714 . . . . 0.0 112.216 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -128.91 159.4 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.964 1.706 . . . . 0.0 112.045 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.7 m -74.28 -14.41 60.9 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 -169.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.9 p -138.55 158.15 70.92 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 125.353 1.461 . . . . 0.0 112.109 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -77.0 40.35 0.8 Allowed 'Trans proline' 0 CA--C 1.549 1.246 0 C-N-CA 124.301 3.334 . . . . 0.0 113.056 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.21 -37.79 46.82 Favored Pre-proline 0 CA--C 1.555 1.153 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -55.93 148.13 59.02 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.937 2.425 . . . . 0.0 113.677 172.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -143.28 -62.07 0.41 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.742 1.217 . . . . 0.0 112.162 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.6 p -134.77 172.96 12.24 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.48 1.912 . . . . 0.0 111.459 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 pp -139.48 173.2 11.79 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.408 1.483 . . . . 0.0 112.266 174.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -125.69 -2.99 7.25 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.294 1.438 . . . . 0.0 114.199 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -65.45 111.42 3.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.19 1.396 . . . . 0.0 111.194 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -68.81 -26.19 65.06 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -72.82 163.46 28.09 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.198 0.999 . . . . 0.0 111.931 176.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.2 p80 50.33 -56.98 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 130.437 3.495 . . . . 0.0 117.894 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -68.17 90.91 0.35 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.414 2.286 . . . . 0.0 112.411 -176.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.3 m80 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.668 1.587 . . . . 0.0 112.202 175.081 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 19.0 m -61.0 -17.99 55.18 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -171.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -72.07 -13.47 61.6 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.838 1.255 . . . . 0.0 114.317 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 60.9 mtt -63.59 150.68 43.51 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.094 0.861 . . . . 0.0 112.464 175.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 8.6 t -148.58 176.13 10.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.99 1.716 . . . . 0.0 111.21 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 12.5 tt -144.96 160.74 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.351 1.46 . . . . 0.0 111.878 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.5 p -134.79 -159.74 0.99 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.314 2.246 . . . . 0.0 110.884 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.81 -24.25 66.75 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.008 -1.058 . . . . 0.0 112.325 169.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 62.56 -49.14 0.18 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 129.651 3.18 . . . . 0.0 115.142 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -79.1 1.83 22.88 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.77 1.628 . . . . 0.0 114.206 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -59.06 152.0 21.03 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.883 -1.135 . . . . 0.0 112.904 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 94.85 2.43 62.81 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.947 1.26 . . . . 0.0 116.009 174.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.08 163.35 12.57 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.062 1.431 . . . . 0.0 112.597 172.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 6.1 t -120.32 2.5 10.82 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.696 1.598 . . . . 0.0 114.243 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 89.9 179.23 44.59 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.19 1.376 . . . . 0.0 113.872 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 10.3 mp -73.37 161.45 79.05 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.774 1.229 . . . . 0.0 112.975 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.58 171.75 0.88 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 124.869 3.712 . . . . 0.0 115.867 173.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -81.39 52.8 1.92 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.571 1.548 . . . . 0.0 110.17 169.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 17.5 mt 62.42 0.25 0.59 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 128.964 2.905 . . . . 0.0 115.249 -169.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 5.9 m -54.39 -43.43 71.41 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.944 2.098 . . . . 0.0 115.124 -169.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 15.5 m -100.11 -8.68 23.42 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.572 1.149 . . . . 0.0 114.087 -175.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -88.31 132.11 34.54 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.173 0.989 . . . . 0.0 113.04 -170.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 57.9 p -71.7 176.99 4.4 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.089 1.755 . . . . 0.0 111.323 169.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -50.55 -54.68 20.58 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.065 -1.022 . . . . 0.0 112.251 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.03 -33.39 75.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.862 0.865 . . . . 0.0 113.097 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -72.4 -40.78 66.95 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.308 -0.87 . . . . 0.0 112.444 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -63.83 -42.24 97.66 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.336 -0.853 . . . . 0.0 111.276 171.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.13 -49.89 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.17 0.988 . . . . 0.0 110.959 171.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.28 -32.52 72.35 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 120.0 1.273 . . . . 0.0 113.676 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.2 -42.25 89.07 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.043 -1.036 . . . . 0.0 111.951 169.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 290' ' ' ALA . . . . . 0.423 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -58.12 -46.23 85.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.845 0.858 . . . . 0.0 112.112 171.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.4 mtt -57.78 -45.29 86.2 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.424 1.49 . . . . 0.0 111.733 173.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.63 -47.23 85.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.312 0.96 . . . . 0.0 112.425 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 69.2 mtm -63.07 -40.26 97.16 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.192 0.906 . . . . 0.0 111.922 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 8.5 t -59.81 -38.85 83.14 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.935 1.294 . . . . 0.0 113.431 173.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 66.9 mt -65.44 -34.13 77.57 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.157 1.383 . . . . 0.0 112.746 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -66.91 -44.28 81.14 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.117 0.871 . . . . 0.0 110.606 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -59.28 -26.09 61.12 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.41 1.481 . . . . 0.0 114.577 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -74.24 30.76 0.08 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.707 2.003 . . . . 0.0 113.596 169.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 49.56 43.24 23.89 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.575 1.95 . . . . 0.0 112.245 -170.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 59.83 6.01 0.82 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.65 2.38 . . . . 0.0 115.734 -175.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 149.96 87.53 0.06 OUTLIER Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.879 1.228 . . . . 0.0 112.654 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -60.84 -21.53 63.3 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -175.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -74.95 71.36 2.05 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.327 1.451 . . . . 0.0 111.691 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.37 -17.23 62.43 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 56.4 p -75.58 164.12 26.65 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.856 1.662 . . . . 0.0 113.569 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -77.01 -22.01 53.76 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.822 2.049 . . . . 0.0 112.768 -178.488 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.821 0.343 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -92.2 84.83 5.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.413 1.085 . . . . 0.0 110.38 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.75 133.59 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.422 1.089 . . . . 0.0 109.503 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.2 m -81.37 133.52 35.43 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.729 -0.607 . . . . 0.0 109.585 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.5 147.49 29.32 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.426 1.49 . . . . 0.0 110.628 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HE3' ' CG2' ' A' ' 12' ' ' THR . 2.9 tppp? -135.63 122.6 21.34 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.84 2.456 . . . . 0.0 109.723 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.1 p -85.52 166.06 16.6 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.719 1.208 . . . . 0.0 111.778 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.7 mt -67.53 -22.59 65.42 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.805 -1.184 . . . . 0.0 113.675 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -77.26 7.98 4.59 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.129 1.372 . . . . 0.0 111.798 169.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 57.45 28.5 15.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.68 2.792 . . . . 0.0 114.242 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -89.21 157.87 18.09 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.586 1.155 . . . . 0.0 109.497 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.425 ' CG2' ' HE3' ' A' ' 6' ' ' LYS . 33.4 p -135.83 148.1 48.54 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.328 1.061 . . . . 0.0 113.665 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -146.93 -179.95 7.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.0 2.52 . . . . 0.0 109.098 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -129.13 153.11 48.01 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.18 -0.95 . . . . 0.0 111.083 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.1 mm -134.7 110.74 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 126.133 1.773 . . . . 0.0 108.876 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -77.5 99.32 5.64 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.993 169.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.0 tp -117.33 143.76 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.522 1.929 . . . . 0.0 111.553 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -77.54 121.16 83.94 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 125.648 1.579 . . . . 0.0 111.057 171.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.11 -29.84 65.47 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.22 2.613 . . . . 0.0 113.886 -174.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -77.18 -20.86 54.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.981 1.712 . . . . 0.0 114.168 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -82.77 -6.01 59.2 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -169.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.8 p 87.02 174.14 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.343 1 C-N-CA 132.012 4.125 . . . . 0.0 113.748 173.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.09 -31.9 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 O-C-N 120.769 -1.207 . . . . 0.0 112.267 176.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -56.96 -37.16 71.17 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.964 -1.085 . . . . 0.0 112.354 171.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.11 -33.83 68.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 174.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.65 -55.5 33.2 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.091 -1.005 . . . . 0.0 110.042 169.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -50.37 -43.59 54.44 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.862 1.265 . . . . 0.0 113.606 170.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -50.76 63.38 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.101 1.36 . . . . 0.0 112.189 174.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -41.14 87.64 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.627 0.771 . . . . 0.0 111.961 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.79 -49.16 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.096 0.958 . . . . 0.0 110.843 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.04 -44.35 91.76 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.635 0.774 . . . . 0.0 111.377 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -59.98 -49.33 78.11 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.682 1.193 . . . . 0.0 112.589 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.98 -52.71 32.7 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.835 1.254 . . . . 0.0 112.683 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -90.23 -15.28 31.67 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -170.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.58 150.7 24.85 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 126.779 2.133 . . . . 0.0 113.165 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -63.04 -26.34 68.8 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.609 1.164 . . . . 0.0 113.343 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.59 -36.82 83.54 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.388 1.075 . . . . 0.0 112.657 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.55 -54.04 5.0 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.573 1.149 . . . . 0.0 112.022 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -139.03 77.56 31.07 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 124.963 1.305 . . . . 0.0 111.54 -172.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.43 146.58 56.47 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 C-N-CA 122.364 2.043 . . . . 0.0 109.929 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.4 t -51.4 -45.21 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 120.933 -1.105 . . . . 0.0 112.016 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.85 -14.89 61.6 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.36 -25.05 3.9 Favored Glycine 0 N--CA 1.476 1.322 0 C-N-CA 125.065 1.316 . . . . 0.0 114.8 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -71.43 144.79 49.63 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.477 1.139 . . . . 0.0 110.964 172.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -125.79 145.05 50.38 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.397 1.479 . . . . 0.0 109.764 171.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -121.75 127.23 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 126.806 2.042 . . . . 0.0 109.812 -169.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mp -134.65 126.95 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.002 1.321 . . . . 0.0 110.801 -171.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -132.09 137.19 47.65 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.759 1.224 . . . . 0.0 111.078 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 44.76 39.27 3.35 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.339 1.456 . . . . 0.0 114.551 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.8 28.42 73.62 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 126.79 2.138 . . . . 0.0 115.238 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -130.91 129.94 42.86 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.996 2.118 . . . . 0.0 110.723 173.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -73.21 123.27 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.693 0.797 . . . . 0.0 110.86 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.15 112.48 2.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.753 1.621 . . . . 0.0 110.639 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -71.49 125.13 26.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.486 1.114 . . . . 0.0 110.677 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.53 -46.77 57.58 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.803 2.041 . . . . 0.0 114.631 -169.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -78.75 -17.42 55.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.874 1.27 . . . . 0.0 114.046 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.9 m -76.59 145.6 38.84 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.545 1.138 . . . . 0.0 110.761 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.66 155.89 31.08 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.1 -1.0 . . . . 0.0 113.113 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 99.9 mt -69.8 -26.33 64.21 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.052 0.941 . . . . 0.0 113.317 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -60.26 -32.06 70.8 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.655 1.582 . . . . 0.0 112.899 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.08 -21.57 64.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.186 1.395 . . . . 0.0 113.363 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -102.92 -3.43 26.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.03 1.732 . . . . 0.0 112.545 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 45.48 43.44 8.83 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.874 2.47 . . . . 0.0 113.409 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.11 133.97 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.917 1.287 . . . . 0.0 109.722 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -102.77 157.1 17.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.333 1.053 . . . . 0.0 111.648 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.82 -33.18 57.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.683 0.793 . . . . 0.0 112.998 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -82.98 -33.93 26.5 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.109 1.363 . . . . 0.0 112.463 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -74.04 170.08 16.18 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.252 0.621 . . . . 0.0 110.253 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -115.95 147.53 41.05 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.93 0.892 . . . . 0.0 113.217 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.84 147.63 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.242 1.817 . . . . 0.0 107.614 169.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.1 t -99.11 134.58 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 121.88 -0.513 . . . . 0.0 109.944 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.98 137.46 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.219 1.408 . . . . 0.0 110.794 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.5 ptm -137.78 170.47 16.01 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.984 1.713 . . . . 0.0 111.686 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.02 117.04 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 125.101 1.361 . . . . 0.0 109.478 175.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 p -76.22 145.2 39.95 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.42 -0.8 . . . . 0.0 112.821 -176.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -72.39 160.37 82.95 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.821 1.648 . . . . 0.0 112.065 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -55.78 164.07 4.92 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.691 2.927 . . . . 0.0 115.285 171.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -89.5 -8.57 52.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.437 1.495 . . . . 0.0 114.358 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.83 136.8 55.52 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.245 1.818 . . . . 0.0 111.902 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.259 24.4 m 49.35 -12.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 130.748 3.619 . . . . 0.0 118.204 -173.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.3 m -76.12 -38.21 57.13 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.41 1.484 . . . . 0.0 111.931 169.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -73.63 157.09 88.07 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 124.742 1.217 . . . . 0.0 112.264 171.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -69.77 160.48 49.56 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.983 2.455 . . . . 0.0 112.086 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.09 164.24 22.0 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.026 1.33 . . . . 0.0 112.797 -173.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.86 97.94 0.58 Allowed 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.716 2.944 . . . . 0.0 111.496 171.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 54.89 -173.19 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 127.195 2.198 . . . . 0.0 114.764 -174.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 36.1 p -68.75 -10.77 58.44 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.709 1.604 . . . . 0.0 114.305 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.5 tp -53.98 -54.62 36.45 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.823 1.649 . . . . 0.0 112.763 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.43 -37.68 75.89 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.17 0.988 . . . . 0.0 112.689 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -65.47 -7.08 12.5 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.192 1.397 . . . . 0.0 114.0 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -126.63 1.42 6.82 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.858 2.063 . . . . 0.0 113.11 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -76.79 170.91 15.61 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.166 1.386 . . . . 0.0 113.694 -171.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -64.18 -7.51 9.34 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.667 2.387 . . . . 0.0 115.647 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -66.31 -19.32 65.78 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.576 -1.328 . . . . 0.0 114.369 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.4 m80 . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.323 1.849 . . . . 0.0 113.312 179.696 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 19.1 m -59.49 -22.24 61.29 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -171.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -66.74 -17.43 64.86 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.746 1.218 . . . . 0.0 113.475 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 48.6 ttm -61.07 -11.2 7.7 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.429 1.492 . . . . 0.0 114.333 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 37.0 p -55.38 -28.29 53.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.407 1.483 . . . . 0.0 113.052 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 9.3 tp -63.3 -21.07 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 125.387 1.475 . . . . 0.0 113.85 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 50.4 m -110.86 0.91 17.36 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.439 1.496 . . . . 0.0 114.351 -172.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.09 167.05 21.92 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.799 0.84 . . . . 0.0 113.071 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -60.62 135.76 57.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.188 1.395 . . . . 0.0 111.887 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -80.29 89.51 5.51 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.007 0.923 . . . . 0.0 110.342 170.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -63.54 162.56 12.6 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.713 1.205 . . . . 0.0 112.722 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -157.64 166.62 33.91 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.922 1.249 . . . . 0.0 113.412 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -83.06 -16.97 44.87 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -173.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 40.9 p -130.4 -66.1 0.78 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.267 1.427 . . . . 0.0 112.47 -170.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 74.34 11.97 82.11 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.056 1.313 . . . . 0.0 115.136 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 16.9 tp -60.12 121.7 61.03 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 125.727 1.611 . . . . 0.0 111.742 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.65 164.82 27.76 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.484 2.789 . . . . 0.0 113.971 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -82.1 53.91 2.36 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.479 1.512 . . . . 0.0 109.062 168.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.8 mt 62.89 -10.86 0.09 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 130.76 3.624 . . . . 0.0 116.964 -172.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 33.5 p -51.66 -61.08 2.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.809 1.643 . . . . 0.0 113.895 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 82.3 p -96.3 2.85 53.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.68 1.592 . . . . 0.0 114.042 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 25.1 tpp -59.6 133.71 56.35 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.622 1.569 . . . . 0.0 112.386 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 21.0 m -67.97 148.21 51.37 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.908 0.883 . . . . 0.0 109.636 169.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.19 -44.73 79.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.786 0.835 . . . . 0.0 112.57 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -62.24 -39.53 93.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.13 0.972 . . . . 0.0 112.787 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.96 -39.68 79.33 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.325 1.05 . . . . 0.0 112.269 174.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -63.03 -41.87 99.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.419 1.088 . . . . 0.0 111.502 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.61 -48.9 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.741 1.216 . . . . 0.0 110.816 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -57.03 -37.75 72.19 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.984 1.265 . . . . 0.0 113.124 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -58.98 -47.03 86.6 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.413 1.085 . . . . 0.0 111.927 169.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.12 84.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.823 0.849 . . . . 0.0 113.281 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 8.2 mmt -53.85 -55.41 26.98 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.87 1.268 . . . . 0.0 110.863 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -48.38 -49.46 34.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.188 1.395 . . . . 0.0 112.681 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 65.9 mtm -64.72 -44.68 89.42 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.668 0.667 . . . . 0.0 111.78 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 54.0 p -64.52 -33.62 76.33 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.58 -38.43 89.51 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.003 1.321 . . . . 0.0 112.108 171.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -69.16 -30.8 69.1 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.526 -0.734 . . . . 0.0 111.861 171.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.97 -41.36 99.37 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.516 1.055 . . . . 0.0 111.055 169.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -72.92 10.21 0.96 Allowed 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 126.573 1.949 . . . . 0.0 113.314 169.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 67.34 9.0 6.67 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.199 3.0 . . . . 0.0 114.706 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 51.59 19.47 0.87 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.592 1.557 . . . . 0.0 114.76 -171.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -79.55 68.51 3.17 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 125.981 1.753 . . . . 0.0 114.059 -172.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -134.06 163.96 28.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.406 1.882 . . . . 0.0 111.385 174.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -74.86 -13.8 60.6 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.35 145.19 56.5 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.636 1.174 . . . . 0.0 112.868 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 39.6 m -72.49 -2.38 19.41 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.152 1.781 . . . . 0.0 115.079 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.06 -22.24 64.95 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -176.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.506 1.522 . . . . 0.0 113.354 175.088 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttp . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 121.769 0.795 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -86.96 79.23 8.81 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.399 1.08 . . . . 0.0 111.23 -170.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.63 119.35 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.752 1.221 . . . . 0.0 109.601 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 m -79.4 140.95 37.27 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.944 0.498 . . . . 0.0 110.037 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 mt -116.39 154.01 31.02 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.567 1.547 . . . . 0.0 111.673 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -132.91 122.79 24.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 128.242 2.617 . . . . 0.0 108.887 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -82.75 165.78 19.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.71 1.204 . . . . 0.0 111.722 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' B' ' 290' ' ' ALA . 38.9 mt -67.78 -21.94 65.22 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.082 -1.011 . . . . 0.0 113.4 170.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -78.0 4.98 10.82 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.784 1.233 . . . . 0.0 112.224 169.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 62.2 27.36 16.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.173 2.589 . . . . 0.0 114.177 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -87.63 157.43 19.12 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.582 1.153 . . . . 0.0 109.225 170.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.9 p -136.61 144.59 44.17 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.528 -0.732 . . . . 0.0 112.388 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -145.93 171.77 14.34 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.834 2.054 . . . . 0.0 109.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -126.96 142.19 51.61 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.108 0.963 . . . . 0.0 111.56 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 mm -128.74 111.92 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 126.754 2.022 . . . . 0.0 109.008 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.73 88.5 2.24 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.089 0.947 . . . . 0.0 110.731 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.454 HD12 ' H ' ' A' ' 18' ' ' ASP . 5.6 tp -99.67 146.05 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.981 1.712 . . . . 0.0 111.141 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.454 ' H ' HD12 ' A' ' 17' ' ' ILE . 5.2 m-20 -72.97 109.12 5.51 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 126.486 1.914 . . . . 0.0 110.63 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -70.43 -15.68 34.61 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.303 2.669 . . . . 0.0 112.927 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.13 -20.74 64.05 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.351 1.46 . . . . 0.0 112.602 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -93.01 -179.08 5.0 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.663 1.585 . . . . 0.0 112.255 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.6 p -97.33 175.22 6.34 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.631 1.172 . . . . 0.0 113.626 -173.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 53' ' ' LEU . 69.3 t -61.24 -31.87 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.193 0.997 . . . . 0.0 111.63 174.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -58.63 -38.46 78.12 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.786 -1.196 . . . . 0.0 112.106 170.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.02 78.2 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.776 0.716 . . . . 0.0 112.878 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.95 -54.21 45.71 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.931 1.241 . . . . 0.0 110.476 169.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -51.75 -42.91 62.68 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -45.22 95.32 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.637 1.108 . . . . 0.0 112.802 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -45.22 93.88 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.868 1.267 . . . . 0.0 111.873 174.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.36 -52.89 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.524 1.129 . . . . 0.0 110.739 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.96 -42.35 84.8 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.77 0.828 . . . . 0.0 111.847 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -59.81 -52.32 65.96 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.506 1.522 . . . . 0.0 112.438 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -70.67 -54.43 11.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.406 1.082 . . . . 0.0 112.759 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -78.86 -19.32 52.27 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.7 1.2 . . . . 0.0 113.862 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.61 141.29 3.91 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.174 1.845 . . . . 0.0 111.661 -169.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -66.84 -15.85 63.89 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.71 -36.84 85.19 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.435 1.094 . . . . 0.0 112.28 169.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.6 -50.84 6.02 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.781 1.232 . . . . 0.0 111.925 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -136.88 83.45 28.75 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.467 1.507 . . . . 0.0 111.419 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.63 154.46 64.29 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.387 2.058 . . . . 0.0 109.746 171.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.89 -45.4 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 120.375 -1.453 . . . . 0.0 111.324 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.07 65.76 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.57 -24.77 6.9 Favored Glycine 0 N--CA 1.476 1.321 0 C-N-CA 124.735 1.16 . . . . 0.0 114.993 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.89 149.53 29.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.498 1.149 . . . . 0.0 112.814 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -127.7 153.31 46.65 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.906 1.682 . . . . 0.0 110.237 169.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -126.03 122.47 35.95 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.905 2.082 . . . . 0.0 109.994 -169.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.82 120.88 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.453 1.501 . . . . 0.0 110.012 -170.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -129.36 146.11 51.29 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.681 1.192 . . . . 0.0 112.735 172.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.97 25.45 1.65 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.407 1.483 . . . . 0.0 114.331 -174.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.74 79.7 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.721 1.629 . . . . 0.0 115.433 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -125.59 149.31 48.49 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.131 1.772 . . . . 0.0 111.281 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.32 128.35 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.203 0.601 . . . . 0.0 110.156 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.449 ' HB3' HG21 ' A' ' 23' ' ' VAL . 28.1 mt -71.12 124.1 23.65 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.029 1.732 . . . . 0.0 110.943 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -72.25 124.25 24.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.221 1.008 . . . . 0.0 111.228 177.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.58 -49.78 45.17 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.279 1.832 . . . . 0.0 114.308 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.98 -9.72 59.24 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.71 1.204 . . . . 0.0 113.986 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.4 m -85.6 146.65 26.77 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.74 1.216 . . . . 0.0 110.945 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.8 156.3 34.65 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.06 -32.76 74.16 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.86 -25.72 65.27 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.968 1.307 . . . . 0.0 114.044 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -66.2 -15.73 63.41 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.607 1.163 . . . . 0.0 113.614 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -116.41 -2.43 12.06 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.738 1.615 . . . . 0.0 112.863 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 45.1 39.56 4.0 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.862 2.465 . . . . 0.0 114.054 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mt -58.72 142.58 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.121 1.369 . . . . 0.0 109.128 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -121.27 157.83 29.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.932 1.293 . . . . 0.0 111.378 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.55 -33.54 71.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -79.67 -32.65 41.5 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.178 1.391 . . . . 0.0 113.018 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -79.18 177.3 8.93 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.345 1.458 . . . . 0.0 111.192 173.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -130.89 145.2 51.94 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.906 -1.121 . . . . 0.0 113.55 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.84 164.45 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.631 1.972 . . . . 0.0 108.98 169.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.9 t -109.81 130.36 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.469 -0.77 . . . . 0.0 110.243 171.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.1 141.24 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 125.414 1.486 . . . . 0.0 109.37 171.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -135.93 164.66 27.45 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.099 0.959 . . . . 0.0 111.658 170.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p -137.15 135.67 47.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 125.256 1.422 . . . . 0.0 109.74 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.3 p -80.16 170.88 15.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.495 1.118 . . . . 0.0 113.359 -174.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -126.73 162.1 49.21 Favored Pre-proline 0 N--CA 1.478 0.957 0 C-N-CA 125.868 1.667 . . . . 0.0 112.066 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -57.22 159.48 15.43 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 123.582 2.854 . . . . 0.0 116.02 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -137.21 11.73 3.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.405 2.282 . . . . 0.0 112.96 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.23 175.49 1.64 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.419 1.888 . . . . 0.0 114.806 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 t 65.1 87.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 128.358 2.663 . . . . 0.0 112.882 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.3 m -66.61 168.1 9.87 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.847 1.659 . . . . 0.0 113.745 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.6 p -68.57 164.25 46.61 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.562 1.545 . . . . 0.0 112.915 170.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -57.68 163.03 9.56 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 123.95 3.1 . . . . 0.0 115.474 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.82 123.21 76.36 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 125.855 1.662 . . . . 0.0 112.877 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -54.09 148.38 39.88 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.954 3.103 . . . . 0.0 114.823 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.77 -23.98 67.49 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.554 1.142 . . . . 0.0 114.03 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 33.1 p -63.87 -23.3 67.3 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.018 1.327 . . . . 0.0 113.908 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.5 mt -77.17 -33.62 56.5 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.698 1.199 . . . . 0.0 112.328 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -73.89 -46.33 45.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.449 1.1 . . . . 0.0 111.344 171.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 61.74 168.09 0.11 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 128.616 2.766 . . . . 0.0 114.962 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -82.89 165.28 19.9 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.866 1.266 . . . . 0.0 111.685 170.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -142.33 165.17 28.15 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.257 1.423 . . . . 0.0 111.901 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -137.39 167.92 20.66 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.706 1.202 . . . . 0.0 112.369 -172.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -137.79 170.24 16.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.92 1.688 . . . . 0.0 111.989 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 125.304 1.442 . . . . 0.0 112.521 175.07 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 34.2 m -62.74 161.08 13.07 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.076 1.35 . . . . 0.0 113.396 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -144.21 168.37 20.21 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.602 1.561 . . . . 0.0 112.426 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.27 172.96 7.33 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.651 1.58 . . . . 0.0 112.832 171.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 40.3 p -123.51 -0.49 8.68 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.158 1.383 . . . . 0.0 114.608 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 33.9 mm -51.51 -46.88 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.641 1.976 . . . . 0.0 113.55 -170.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 53.1 m -118.72 -4.03 10.77 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.032 1.333 . . . . 0.0 113.81 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -72.47 -20.23 61.42 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.923 1.689 . . . . 0.0 113.488 -171.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -20.19 61.85 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 173.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 59.99 -65.3 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 129.05 2.94 . . . . 0.0 115.06 -173.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -150.63 166.29 30.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.47 1.508 . . . . 0.0 112.581 -172.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -170.09 157.81 29.44 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.509 1.528 . . . . 0.0 112.69 171.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -70.05 -45.55 66.88 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.626 1.17 . . . . 0.0 113.115 -175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 75.1 p -141.69 167.97 20.88 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.566 1.947 . . . . 0.0 111.534 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -101.69 -8.27 46.23 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.777 1.179 . . . . 0.0 115.107 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 14.3 tp -151.07 129.22 5.93 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 126.398 1.879 . . . . 0.0 109.939 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.6 169.07 17.29 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.114 2.543 . . . . 0.0 112.365 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -80.92 46.26 0.88 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.626 1.57 . . . . 0.0 110.789 168.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 8.7 mp 71.74 -3.62 2.13 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 130.155 3.382 . . . . 0.0 115.815 171.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 49.5 m -59.41 -55.92 28.58 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 55.5 p -92.97 -6.06 49.27 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.45 1.5 . . . . 0.0 114.085 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.17 144.59 51.92 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.516 1.526 . . . . 0.0 112.206 -177.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 58.2 p -79.66 165.47 22.84 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.554 0.741 . . . . 0.0 111.709 171.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.39 -41.49 93.96 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.26 -0.9 . . . . 0.0 111.905 174.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.63 -41.03 98.3 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.719 0.808 . . . . 0.0 112.517 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -71.25 -35.78 71.53 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.411 -0.805 . . . . 0.0 112.598 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -59.0 -46.2 88.75 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.257 0.935 . . . . 0.0 111.369 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.08 -52.64 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.466 1.106 . . . . 0.0 110.817 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.44 76.29 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.52 1.055 . . . . 0.0 113.253 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -62.25 -43.59 98.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.074 0.95 . . . . 0.0 111.876 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 290' ' ' ALA . . . . . 0.425 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -56.73 -48.67 77.25 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.456 -0.777 . . . . 0.0 112.224 171.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 42.1 mtt -57.46 -45.12 85.12 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.775 1.23 . . . . 0.0 112.165 175.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -60.26 -40.27 89.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.991 0.916 . . . . 0.0 113.028 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 72.6 mtm -69.95 -41.49 74.47 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.273 -0.892 . . . . 0.0 111.635 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 10.9 t -58.68 -42.65 89.0 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.373 1.469 . . . . 0.0 113.092 174.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 37.7 mt -58.98 -38.98 80.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.796 1.638 . . . . 0.0 112.492 171.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -69.37 -36.8 77.2 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.59 -0.694 . . . . 0.0 112.671 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -61.15 -38.34 95.45 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 123.853 0.74 . . . . 0.0 112.97 169.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.94 -64.27 0.9 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.033 1.333 . . . . 0.0 112.866 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -152.59 -30.52 0.14 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -66.83 -10.28 46.27 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -171.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -84.63 -9.04 82.05 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.272 1.415 . . . . 0.0 114.307 172.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -127.03 -16.5 5.07 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.578 1.551 . . . . 0.0 114.131 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.05 153.91 39.35 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.177 0.991 . . . . 0.0 112.399 169.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -81.43 -28.82 34.09 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 33.9 m 54.72 13.64 0.74 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.477 2.311 . . . . 0.0 116.45 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -78.37 -9.4 59.26 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.499 1.52 . . . . 0.0 114.699 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.865 2.066 . . . . 0.0 114.456 177.053 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 ttp . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 121.669 0.747 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -90.0 74.23 7.28 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 125.414 1.486 . . . . 0.0 112.045 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -63.05 136.07 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.018 1.727 . . . . 0.0 110.481 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 m -84.94 137.14 33.29 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.678 -0.639 . . . . 0.0 110.198 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.39 150.51 32.59 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.739 2.015 . . . . 0.0 110.534 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -137.67 126.73 24.31 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.175 1.79 . . . . 0.0 111.114 170.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -80.22 168.55 18.94 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.808 1.243 . . . . 0.0 112.284 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 mt -66.79 -18.91 65.61 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.864 -1.148 . . . . 0.0 114.072 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -83.45 6.48 20.07 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.031 1.332 . . . . 0.0 111.534 169.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 54.04 35.83 23.09 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.033 2.533 . . . . 0.0 114.172 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -87.87 140.43 29.51 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 169.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -127.13 136.72 52.5 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.82 0.819 . . . . 0.0 112.425 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -148.88 179.04 8.15 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.961 2.105 . . . . 0.0 109.438 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -119.81 151.82 38.24 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.725 0.81 . . . . 0.0 112.013 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 mm -131.11 108.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 127.128 2.171 . . . . 0.0 108.699 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -78.34 90.8 4.4 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.447 0.642 . . . . 0.0 110.799 170.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -106.28 145.72 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.212 1.805 . . . . 0.0 110.945 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -73.16 115.68 43.13 Favored Pre-proline 0 CA--C 1.553 1.065 0 O-C-N 121.028 -1.045 . . . . 0.0 110.782 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -72.24 -15.43 28.51 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.025 2.484 . . . . 0.0 114.123 -174.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -78.56 -18.19 55.01 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.268 0.94 . . . . 0.0 112.195 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.92 177.75 8.7 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.866 1.266 . . . . 0.0 112.134 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 43.7 p -93.41 174.57 7.14 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 122.397 1.094 . . . . 0.0 113.897 -174.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' A' ' 53' ' ' LEU . 76.7 t -61.76 -32.01 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.248 -0.908 . . . . 0.0 111.7 173.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -58.71 -36.5 74.36 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.038 -1.039 . . . . 0.0 112.018 170.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.43 77.95 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 tp -53.73 -54.95 30.85 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.693 -1.254 . . . . 0.0 110.347 169.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -51.18 -43.81 61.39 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.273 1.029 . . . . 0.0 113.431 170.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -46.18 89.05 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.436 1.016 . . . . 0.0 112.575 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -66.69 -38.47 86.83 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.892 0.877 . . . . 0.0 112.183 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.3 mt -60.39 -49.41 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.161 0.985 . . . . 0.0 110.825 170.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.24 -43.63 92.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.461 0.705 . . . . 0.0 111.514 177.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.6 t -60.39 -45.36 93.83 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.803 1.241 . . . . 0.0 112.51 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -67.61 -55.73 12.2 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.777 1.231 . . . . 0.0 112.724 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -88.68 -18.41 27.95 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 153.3 27.85 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 127.066 2.27 . . . . 0.0 113.366 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -62.96 -29.34 70.73 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.729 1.212 . . . . 0.0 113.252 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.71 -33.29 75.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.22 1.008 . . . . 0.0 112.611 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.09 -54.48 4.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.696 1.198 . . . . 0.0 112.058 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -139.61 77.4 28.25 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.109 1.364 . . . . 0.0 111.725 -172.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -72.11 142.29 37.86 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.829 2.352 . . . . 0.0 110.292 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.7 t -51.11 -46.87 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 120.872 -1.143 . . . . 0.0 111.751 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.99 -16.43 63.89 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.54 -21.28 7.66 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.531 1.539 . . . . 0.0 114.492 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -67.98 143.92 55.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.325 1.05 . . . . 0.0 113.319 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -131.83 138.43 48.49 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.523 1.929 . . . . 0.0 107.834 168.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -120.82 127.1 51.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.558 1.943 . . . . 0.0 110.332 -169.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.08 126.04 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.256 1.422 . . . . 0.0 110.235 -170.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -132.16 134.83 45.86 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.061 1.344 . . . . 0.0 110.733 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.36 34.7 6.78 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.21 15.83 76.88 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.211 1.862 . . . . 0.0 115.706 -177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -121.58 136.37 54.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.312 1.845 . . . . 0.0 110.323 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 mt -77.99 127.43 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.563 0.696 . . . . 0.0 109.747 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' HB3' HG21 ' A' ' 23' ' ' VAL . 30.3 mt -66.66 116.87 8.06 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.236 1.814 . . . . 0.0 110.36 177.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -69.88 124.63 24.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.175 0.99 . . . . 0.0 111.309 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.44 -50.12 42.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.253 1.821 . . . . 0.0 114.462 -172.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.38 -14.55 59.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.702 1.201 . . . . 0.0 113.941 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.2 m -79.66 146.7 32.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.851 1.26 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.97 159.03 31.28 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.49 -32.49 70.03 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.089 -1.007 . . . . 0.0 113.51 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -57.98 -25.93 61.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.785 1.234 . . . . 0.0 114.033 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -66.13 -18.3 65.26 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.779 1.232 . . . . 0.0 113.785 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -113.4 -3.28 13.78 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.635 1.574 . . . . 0.0 112.731 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 43.51 43.29 4.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.986 2.514 . . . . 0.0 113.654 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.2 mt -59.97 139.71 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.251 1.421 . . . . 0.0 109.345 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -109.01 158.65 17.52 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.482 1.113 . . . . 0.0 111.627 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -70.65 -39.86 73.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.004 0.921 . . . . 0.0 112.689 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -80.11 -31.65 39.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.099 1.36 . . . . 0.0 112.774 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -75.26 169.21 18.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.034 0.534 . . . . 0.0 110.872 170.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -116.27 149.22 39.58 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.883 0.873 . . . . 0.0 113.174 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.77 157.6 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.288 1.835 . . . . 0.0 108.549 169.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.7 t -105.36 129.09 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 121.859 -0.526 . . . . 0.0 110.097 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.1 p -115.25 137.18 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.393 1.477 . . . . 0.0 110.272 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.11 163.07 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.383 1.473 . . . . 0.0 111.055 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.1 p -130.99 107.61 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.091 1.356 . . . . 0.0 108.921 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.2 p -73.92 138.37 44.23 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -169.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -67.87 159.9 76.73 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 125.934 1.694 . . . . 0.0 112.555 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -57.32 164.15 7.28 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.76 2.973 . . . . 0.0 114.848 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -130.73 -4.91 4.09 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.85 1.66 . . . . 0.0 114.473 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -153.27 169.57 22.73 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.054 1.742 . . . . 0.0 112.345 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.81 -16.63 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.646 1.579 . . . . 0.0 113.99 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.8 p -158.22 169.59 24.17 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.255 1.822 . . . . 0.0 111.757 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 p -71.59 159.26 86.03 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 124.773 1.229 . . . . 0.0 111.827 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.8 159.03 53.93 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 122.77 2.314 . . . . 0.0 111.882 172.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.4 149.94 97.15 Favored Pre-proline 0 CA--C 1.554 1.102 0 C-N-CA 123.553 0.741 . . . . 0.0 112.584 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -57.22 162.0 10.32 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.792 2.995 . . . . 0.0 114.014 169.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.48 151.69 46.45 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.818 0.847 . . . . 0.0 112.571 173.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.4 p -142.65 -175.1 4.34 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.685 1.994 . . . . 0.0 110.894 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -64.53 -7.77 11.43 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -53.9 137.99 37.55 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.778 1.172 . . . . 0.0 111.336 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.7 t60 62.66 -24.43 0.05 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.386 2.674 . . . . 0.0 115.989 -174.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -72.95 -46.25 53.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.626 1.57 . . . . 0.0 111.178 170.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -67.67 158.71 31.58 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.854 1.662 . . . . 0.0 111.197 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -66.27 161.62 21.85 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.377 -0.827 . . . . 0.0 112.672 173.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -70.78 165.95 22.01 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.383 1.073 . . . . 0.0 112.701 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.9 t60 . . . . . 0 C--O 1.255 1.371 0 C-N-CA 125.692 1.597 . . . . 0.0 112.59 176.605 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.514 -0.635 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 20.5 m -58.07 -23.6 55.21 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -58.64 -19.32 38.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.295 1.438 . . . . 0.0 114.043 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 25.3 ttt -69.56 -13.23 62.22 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.511 1.524 . . . . 0.0 113.919 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 10.4 t -59.97 149.7 31.16 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 10.2 tp -83.27 -20.99 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.362 1.465 . . . . 0.0 113.152 175.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 92.6 p -61.71 -22.39 65.31 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -169.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -68.57 -21.72 64.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.758 1.223 . . . . 0.0 113.349 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -80.13 87.7 5.47 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.694 1.198 . . . . 0.0 111.78 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -140.13 162.61 34.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.199 1.4 . . . . 0.0 112.544 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -83.3 -21.16 33.32 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 69.98 5.27 52.08 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 125.18 1.372 . . . . 0.0 115.429 -176.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -63.47 114.99 4.23 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.182 1.793 . . . . 0.0 112.105 -176.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 10.5 t -141.34 178.47 7.4 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.318 1.847 . . . . 0.0 110.911 172.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -161.52 165.7 35.67 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.032 1.301 . . . . 0.0 113.634 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -87.63 159.11 50.24 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.391 1.476 . . . . 0.0 112.113 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.6 177.99 6.2 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.189 2.593 . . . . 0.0 112.803 170.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -76.6 46.55 0.45 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.024 1.729 . . . . 0.0 110.967 168.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 4.7 mt 66.02 -13.65 0.15 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 131.139 3.776 . . . . 0.0 117.043 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 22.0 t -53.6 -54.97 29.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.526 1.13 . . . . 0.0 113.348 -174.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 20.3 m -77.83 -13.17 59.97 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 73.4 mtm -84.45 136.07 34.0 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.218 1.007 . . . . 0.0 112.093 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 72.5 p -68.65 173.02 5.5 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.797 1.239 . . . . 0.0 111.674 169.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.7 -47.78 70.16 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.397 -0.815 . . . . 0.0 111.416 169.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.36 -40.02 95.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.586 0.754 . . . . 0.0 112.91 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -65.83 -44.46 85.47 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.513 -0.742 . . . . 0.0 112.101 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -62.04 -42.3 99.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.564 0.746 . . . . 0.0 112.147 174.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.62 -52.05 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.32 1.048 . . . . 0.0 110.764 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.8 76.46 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.898 1.227 . . . . 0.0 112.841 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -61.63 -49.16 77.69 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.605 -0.684 . . . . 0.0 111.439 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.19 76.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.137 0.975 . . . . 0.0 113.411 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 46.4 mtt -56.07 -59.8 4.39 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.126 1.37 . . . . 0.0 110.898 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -54.28 -40.92 68.31 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.55 0.74 . . . . 0.0 112.361 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 39.8 ttp -61.64 -48.76 79.38 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.671 0.669 . . . . 0.0 112.159 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 54.7 p -63.15 -40.13 96.68 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 172.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.89 -39.76 95.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.536 1.535 . . . . 0.0 112.591 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -65.6 -18.36 65.26 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.344 -0.847 . . . . 0.0 113.274 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -66.16 -19.1 67.82 Favored Glycine 0 CA--C 1.542 1.778 0 C-N-CA 124.072 0.844 . . . . 0.0 113.646 169.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -99.23 6.85 46.16 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.96 2.104 . . . . 0.0 113.325 170.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 95.11 1.08 0.05 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 131.299 3.84 . . . . 0.0 113.474 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -63.11 116.54 5.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -178.59 161.88 28.72 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.744 1.64 . . . . 0.0 112.305 169.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -80.73 75.57 7.64 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.268 1.027 . . . . 0.0 110.659 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.26 68.35 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.668 1.187 . . . . 0.0 113.928 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -151.12 168.08 25.74 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.992 1.717 . . . . 0.0 111.899 174.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 14.7 t -79.94 89.59 5.31 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.303 1.041 . . . . 0.0 110.829 172.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -143.84 177.3 8.62 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.911 1.684 . . . . 0.0 112.359 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.2 t70 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 127.019 2.128 . . . . 0.0 112.725 -179.618 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 121.574 0.702 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -85.99 76.44 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 125.045 1.338 . . . . 0.0 111.631 -172.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.26 131.78 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.109 1.363 . . . . 0.0 109.904 173.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.6 m -79.99 134.83 36.27 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.859 -0.526 . . . . 0.0 109.676 169.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.59 150.87 26.9 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.381 1.472 . . . . 0.0 110.938 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -138.84 133.74 32.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.698 1.599 . . . . 0.0 111.707 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 p -91.85 168.82 11.17 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.36 1.464 . . . . 0.0 112.467 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' B' ' 290' ' ' ALA . 31.4 mt -66.66 -23.96 66.22 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -78.8 8.25 5.76 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.526 1.53 . . . . 0.0 112.06 169.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 57.01 28.1 14.29 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.73 2.412 . . . . 0.0 114.118 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -89.28 151.59 22.03 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.403 1.081 . . . . 0.0 109.441 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.0 p -131.73 142.21 49.73 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.9 0.857 . . . . 0.0 113.032 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -144.46 -178.5 6.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.02 2.128 . . . . 0.0 110.331 -172.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.35 149.42 52.56 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.136 -0.978 . . . . 0.0 111.917 171.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mm -133.67 110.37 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.785 2.034 . . . . 0.0 108.968 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -77.7 93.86 4.34 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.422 0.63 . . . . 0.0 110.753 170.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.3 tp -110.71 147.79 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.522 1.929 . . . . 0.0 111.346 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -76.77 116.21 54.83 Favored Pre-proline 0 CA--C 1.554 1.133 0 O-C-N 121.055 -1.028 . . . . 0.0 111.13 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.29 -13.29 25.56 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.294 2.663 . . . . 0.0 114.852 -173.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.85 -15.37 48.44 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.488 1.04 . . . . 0.0 112.64 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -77.48 173.86 11.5 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.375 1.084 . . . . 0.0 112.02 170.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 49.4 p -88.51 172.91 8.99 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 122.144 0.973 . . . . 0.0 113.331 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 53' ' ' LEU . 73.5 t -57.51 -30.68 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.431 1.092 . . . . 0.0 111.788 174.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -59.07 -33.46 70.83 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.92 -1.113 . . . . 0.0 113.196 172.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.52 -38.48 71.09 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.011 0.823 . . . . 0.0 112.853 172.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.8 tp -54.18 -54.12 44.14 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.395 -1.44 . . . . 0.0 110.399 169.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -51.88 -42.78 62.93 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.107 1.363 . . . . 0.0 113.511 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -46.41 89.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.155 0.982 . . . . 0.0 112.553 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.52 -41.02 96.65 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.49 0.716 . . . . 0.0 111.907 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.64 -48.78 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.876 0.87 . . . . 0.0 110.819 174.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.46 -46.02 89.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.198 0.599 . . . . 0.0 111.542 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.1 t -58.26 -48.21 81.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.62 1.168 . . . . 0.0 112.532 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.79 -58.62 4.7 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.151 1.38 . . . . 0.0 112.832 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -81.84 -17.1 48.62 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.26 148.99 21.39 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 127.063 2.268 . . . . 0.0 112.863 -174.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -62.19 -27.79 69.22 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.571 1.148 . . . . 0.0 113.149 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -66.45 -35.02 79.25 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.496 1.118 . . . . 0.0 112.673 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.37 -49.8 6.15 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.512 1.125 . . . . 0.0 112.37 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -136.33 74.36 54.81 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.874 1.269 . . . . 0.0 111.618 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.44 142.93 50.74 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 122.58 2.186 . . . . 0.0 109.848 173.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.46 -44.08 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.721 -1.237 . . . . 0.0 111.39 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.25 -18.74 63.88 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.49 -22.41 5.8 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.867 1.698 . . . . 0.0 114.644 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -64.34 148.1 51.09 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.709 1.204 . . . . 0.0 113.135 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -134.64 145.63 48.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 127.637 2.375 . . . . 0.0 107.587 168.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.51 123.88 34.67 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 126.352 1.861 . . . . 0.0 110.091 -169.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mp -131.46 125.86 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.695 1.198 . . . . 0.0 110.39 -171.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -130.34 141.56 50.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.827 1.251 . . . . 0.0 111.306 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.56 27.18 1.38 Allowed 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.62 82.82 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.552 2.025 . . . . 0.0 116.072 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -121.7 138.49 54.33 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.134 1.467 . . . . 0.0 111.831 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -72.76 125.49 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.763 0.825 . . . . 0.0 109.896 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.421 ' HB3' HG21 ' A' ' 23' ' ' VAL . 31.9 mt -68.08 118.22 10.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.393 1.877 . . . . 0.0 110.726 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -68.52 127.07 31.66 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.893 0.877 . . . . 0.0 111.327 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -56.26 -41.01 75.11 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -170.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.87 -12.31 57.52 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.876 1.27 . . . . 0.0 113.76 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.4 m -82.29 148.1 28.53 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.92 1.288 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.509 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -77.12 156.82 31.39 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.736 1.014 . . . . 0.0 113.736 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.64 -31.15 71.65 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.34 -0.85 . . . . 0.0 112.75 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -47.61 -40.8 20.42 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.778 2.031 . . . . 0.0 113.2 170.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.99 -21.19 66.81 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.419 1.487 . . . . 0.0 114.095 -173.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -110.45 -1.0 17.25 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.913 1.685 . . . . 0.0 112.534 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 mptt 48.26 36.83 7.38 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.897 2.479 . . . . 0.0 113.686 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.25 133.68 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.432 1.493 . . . . 0.0 109.841 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.0 159.13 15.79 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.217 1.007 . . . . 0.0 111.458 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.14 -42.58 75.79 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.366 -0.834 . . . . 0.0 112.657 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -75.81 -33.93 60.13 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.905 1.282 . . . . 0.0 112.913 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -79.0 167.33 21.26 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.196 0.598 . . . . 0.0 110.962 172.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -114.19 144.31 43.41 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.59 155.77 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.935 1.694 . . . . 0.0 107.69 168.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.5 t -106.66 130.06 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.684 -0.635 . . . . 0.0 110.006 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.51 134.9 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.445 1.498 . . . . 0.0 110.242 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.5 ptm -133.24 167.16 20.87 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.993 1.317 . . . . 0.0 111.177 169.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.5 p -136.87 117.86 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 125.001 1.32 . . . . 0.0 109.276 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.2 p -72.15 152.3 42.39 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.483 -0.761 . . . . 0.0 111.838 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt 26.39 72.36 0.39 Allowed Pre-proline 0 N--CA 1.483 1.214 0 C-N-CA 128.361 2.664 . . . . 0.0 115.175 -173.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -55.67 163.38 5.43 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 124.087 3.191 . . . . 0.0 116.426 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -126.94 -0.61 6.59 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.824 2.05 . . . . 0.0 113.822 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.02 23.47 3.55 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.29 1.836 . . . . 0.0 114.232 -170.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -66.27 164.99 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.0 1.32 . . . . 0.0 112.726 172.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.7 m -67.55 -12.45 60.41 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.09 1.756 . . . . 0.0 115.437 -172.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.5 p -126.47 166.03 24.46 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 127.999 2.52 . . . . 0.0 110.238 174.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -46.35 111.37 0.35 Allowed 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.798 2.999 . . . . 0.0 113.291 171.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.76 160.03 39.6 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.178 1.391 . . . . 0.0 111.871 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -64.11 -17.95 61.69 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.03 1.82 . . . . 0.0 114.4 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.41 -14.65 61.75 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.9 2.08 . . . . 0.0 114.525 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.5 p -128.47 -31.21 2.28 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.136 1.374 . . . . 0.0 113.748 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.41 -23.86 64.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.122 1.769 . . . . 0.0 112.826 172.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.45 -17.92 47.84 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 170.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -112.03 -54.59 2.6 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.314 1.845 . . . . 0.0 110.778 170.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -80.38 50.69 1.31 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.074 1.749 . . . . 0.0 112.368 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -63.04 -18.96 63.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.48 1.512 . . . . 0.0 114.04 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -67.21 -14.88 63.32 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.427 1.491 . . . . 0.0 114.281 172.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 64.37 -6.45 0.28 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 127.865 2.466 . . . . 0.0 115.917 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 73.6 m80 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.546 1.938 . . . . 0.0 112.382 -172.662 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 32.4 m -77.82 70.59 4.21 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.322 1.449 . . . . 0.0 112.097 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -63.4 -19.32 64.57 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -171.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -75.73 -47.01 27.87 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.52 1.128 . . . . 0.0 111.633 170.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 8.2 m -74.04 -36.91 64.44 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.08 1.752 . . . . 0.0 113.332 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 9.4 tp -63.09 162.28 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 125.013 1.325 . . . . 0.0 112.757 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 47.1 m -54.59 113.04 1.15 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.559 1.544 . . . . 0.0 112.453 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -75.54 -10.61 59.6 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -140.06 174.54 10.42 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.075 1.35 . . . . 0.0 113.215 177.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -98.58 173.05 7.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.045 1.738 . . . . 0.0 111.894 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -75.98 -178.32 4.3 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.238 1.415 . . . . 0.0 112.58 171.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -71.75 53.11 1.26 Allowed Glycine 0 CA--C 1.539 1.556 0 C-N-CA 126.521 2.01 . . . . 0.0 115.884 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -62.18 -21.54 65.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.738 2.015 . . . . 0.0 114.309 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 21.4 p -75.04 -6.68 50.74 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.685 1.994 . . . . 0.0 114.998 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -66.77 170.35 32.62 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 124.649 1.118 . . . . 0.0 115.578 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.6 140.72 96.92 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.518 1.527 . . . . 0.0 111.357 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -59.59 162.93 14.01 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.106 2.537 . . . . 0.0 114.689 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -81.51 51.13 1.6 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.913 1.285 . . . . 0.0 109.376 168.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 12.9 mt 69.37 -4.73 1.26 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.925 2.89 . . . . 0.0 114.78 -169.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 2.9 m -53.79 -51.95 61.84 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.316 1.846 . . . . 0.0 115.15 -169.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 19.2 m -100.12 -4.56 29.45 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.825 1.25 . . . . 0.0 113.903 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 73.9 mtm -84.91 129.35 34.82 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.032 1.333 . . . . 0.0 111.71 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 72.5 p -65.06 169.09 5.74 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.319 1.047 . . . . 0.0 111.812 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -53.34 -44.52 68.55 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.919 -1.113 . . . . 0.0 112.406 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.09 -39.41 93.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.137 0.975 . . . . 0.0 113.058 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -67.63 -42.67 81.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.293 -0.879 . . . . 0.0 112.334 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -60.74 -43.2 98.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.914 0.886 . . . . 0.0 111.421 173.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 48.9 mt -57.6 -52.65 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.498 1.119 . . . . 0.0 111.421 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.86 -33.08 73.54 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.705 1.139 . . . . 0.0 113.513 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -61.98 -48.87 78.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.596 1.159 . . . . 0.0 111.266 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 290' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -55.6 -44.17 76.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.931 0.892 . . . . 0.0 113.202 171.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 49.2 mtt -56.78 -56.36 22.55 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.899 1.28 . . . . 0.0 111.814 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -54.85 -40.33 69.52 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.727 0.811 . . . . 0.0 112.693 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.9 -54.04 47.4 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.917 0.78 . . . . 0.0 111.965 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 79.5 p -63.84 -34.32 77.66 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 65.4 tp -63.13 -36.87 85.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.418 1.887 . . . . 0.0 112.361 173.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -69.64 -36.77 76.39 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.33 0.652 . . . . 0.0 112.034 171.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.64 -36.06 90.76 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 123.512 0.577 . . . . 0.0 112.769 169.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -73.02 -73.15 0.21 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.091 1.756 . . . . 0.0 113.532 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -147.09 -9.36 0.45 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -170.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -80.87 -3.24 50.61 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 172.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -62.14 95.08 0.11 Allowed Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.412 1.958 . . . . 0.0 113.491 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -63.4 176.78 0.75 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.296 1.838 . . . . 0.0 114.68 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . 54.6 -153.92 0.29 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.17 1.788 . . . . 0.0 112.987 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.86 108.04 1.37 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.582 1.153 . . . . 0.0 111.939 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 16.5 m -65.2 163.03 15.97 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.566 1.547 . . . . 0.0 113.982 -177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -65.08 -20.72 66.61 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 127.376 2.27 . . . . 0.0 112.324 177.045 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ptm . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.762 0.315 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -87.59 80.35 8.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.138 0.975 . . . . 0.0 111.137 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.11 123.82 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.981 0.912 . . . . 0.0 109.279 173.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.3 m -79.32 139.41 37.82 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.042 0.448 . . . . 0.0 109.844 170.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.6 mt -116.47 153.99 31.16 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 125.615 1.566 . . . . 0.0 111.382 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -133.79 130.6 38.22 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 126.065 1.746 . . . . 0.0 109.986 169.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 p -87.28 169.11 12.59 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.823 1.249 . . . . 0.0 111.667 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -70.22 -18.68 63.17 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.047 -1.033 . . . . 0.0 113.42 171.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -81.92 5.24 19.66 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.263 1.425 . . . . 0.0 111.756 169.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 58.97 28.88 18.23 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.989 2.516 . . . . 0.0 114.454 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -86.36 153.6 21.82 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.881 0.872 . . . . 0.0 108.976 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 p -133.55 140.71 47.34 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.514 -0.741 . . . . 0.0 112.711 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -144.78 171.56 14.24 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.568 1.947 . . . . 0.0 110.789 -172.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -125.6 143.34 51.06 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.553 1.141 . . . . 0.0 111.408 169.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mm -130.66 111.62 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.551 1.94 . . . . 0.0 109.245 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -73.59 97.44 2.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.299 0.64 . . . . 0.0 111.008 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.429 HD12 ' H ' ' A' ' 18' ' ' ASP . 6.2 tp -109.8 147.07 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 126.388 1.875 . . . . 0.0 112.126 -175.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.429 ' H ' HD12 ' A' ' 17' ' ' ILE . 12.0 m-20 -78.01 111.48 18.51 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.172 1.789 . . . . 0.0 111.182 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.4 -21.55 35.02 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.131 2.554 . . . . 0.0 114.025 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.77 -16.66 61.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.809 1.244 . . . . 0.0 112.889 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -86.35 179.0 6.97 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.84 1.256 . . . . 0.0 111.705 170.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 47.8 p -94.43 176.32 6.34 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 53' ' ' LEU . 71.3 t -59.79 -33.46 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 121.061 -1.024 . . . . 0.0 111.496 171.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.85 -31.86 70.15 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.159 -0.963 . . . . 0.0 112.397 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.76 -35.38 65.0 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -55.19 -54.06 48.09 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.675 -1.266 . . . . 0.0 109.499 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -50.67 -44.91 57.85 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.335 1.454 . . . . 0.0 113.735 169.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -41.59 99.0 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.99 1.268 . . . . 0.0 113.173 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -65.51 -39.88 92.36 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.695 1.198 . . . . 0.0 111.876 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.1 -49.83 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.392 1.077 . . . . 0.0 110.722 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.94 -42.57 85.18 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.095 0.861 . . . . 0.0 111.61 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -61.25 -44.28 97.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.513 1.525 . . . . 0.0 112.855 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.01 -57.66 3.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.603 1.161 . . . . 0.0 112.74 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -80.44 -18.46 48.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.706 1.603 . . . . 0.0 113.923 -171.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.52 134.26 5.73 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 126.527 2.013 . . . . 0.0 113.555 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -56.18 -22.0 26.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.914 2.486 . . . . 0.0 114.619 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.5 -29.85 69.34 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.865 1.266 . . . . 0.0 113.386 171.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.99 -36.3 3.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.107 1.363 . . . . 0.0 113.18 -173.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -134.5 68.72 72.79 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.65 1.58 . . . . 0.0 111.59 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.57 144.93 51.08 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.561 2.174 . . . . 0.0 110.676 174.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.4 t -52.22 -43.71 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.648 1.179 . . . . 0.0 111.284 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.61 -15.0 62.31 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.63 -23.46 4.37 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.243 1.402 . . . . 0.0 114.911 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.61 144.86 56.69 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.855 1.328 . . . . 0.0 113.339 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -130.34 143.98 51.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.457 1.903 . . . . 0.0 108.315 168.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 123.49 38.4 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.305 1.842 . . . . 0.0 110.256 -169.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.85 128.89 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.752 1.221 . . . . 0.0 111.007 -170.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -131.67 140.99 49.48 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.676 1.19 . . . . 0.0 111.482 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.79 33.08 4.05 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.21 18.2 79.74 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 126.608 2.051 . . . . 0.0 115.525 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -128.65 129.88 46.46 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.388 1.875 . . . . 0.0 110.761 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -67.81 126.11 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 121.429 0.633 . . . . 0.0 110.339 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HB3' HG21 ' A' ' 23' ' ' VAL . 30.7 mt -67.21 119.64 12.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.118 1.767 . . . . 0.0 110.248 175.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -68.88 126.17 28.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.578 0.751 . . . . 0.0 111.259 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.64 -49.42 65.2 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.842 1.657 . . . . 0.0 113.965 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.98 -13.5 60.24 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.237 1.415 . . . . 0.0 113.909 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.0 m -81.68 146.51 29.99 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.23 . . . . 0.0 110.795 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.59 158.26 31.28 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.84 -29.59 66.89 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.098 -1.001 . . . . 0.0 113.205 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.11 -21.27 61.33 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.173 1.389 . . . . 0.0 113.935 173.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -73.01 -14.59 61.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.053 1.341 . . . . 0.0 113.673 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -119.24 -4.05 10.52 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.309 1.443 . . . . 0.0 113.297 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 46.92 37.12 4.55 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.876 2.47 . . . . 0.0 114.166 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.3 mt -59.5 141.26 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.686 1.594 . . . . 0.0 110.31 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -103.66 163.81 12.08 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.237 1.415 . . . . 0.0 111.978 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -85.25 -39.52 17.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.394 1.078 . . . . 0.0 112.908 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -76.2 -39.33 54.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.717 1.607 . . . . 0.0 111.969 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -76.31 164.46 26.01 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.859 1.264 . . . . 0.0 110.589 171.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -116.36 147.87 41.17 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -175.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.99 165.17 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 127.866 2.467 . . . . 0.0 107.97 169.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.8 t -111.81 126.81 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.161 -0.962 . . . . 0.0 111.026 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.63 136.69 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.389 1.476 . . . . 0.0 109.726 171.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -137.76 169.96 16.89 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.037 1.335 . . . . 0.0 111.153 170.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.17 129.4 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.642 1.177 . . . . 0.0 109.686 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.8 p -112.23 158.34 19.82 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -169.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -126.94 94.87 38.46 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 127.396 2.278 . . . . 0.0 108.775 169.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -53.92 166.42 1.49 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 124.551 3.501 . . . . 0.0 116.041 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -67.74 -1.25 5.02 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.323 1.849 . . . . 0.0 114.855 171.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.1 172.92 12.21 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.837 2.055 . . . . 0.0 112.322 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -69.83 18.35 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 127.736 2.415 . . . . 0.0 115.101 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -62.78 -33.21 74.71 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.258 1.823 . . . . 0.0 114.794 -173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 p -74.78 160.95 79.68 Favored Pre-proline 0 N--CA 1.48 1.072 0 C-N-CA 124.711 1.205 . . . . 0.0 113.001 175.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -52.98 150.66 22.89 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.898 3.065 . . . . 0.0 115.501 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.96 165.56 46.2 Favored Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 125.512 1.525 . . . . 0.0 113.041 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.12 153.62 20.66 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.954 3.103 . . . . 0.0 114.613 173.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.98 -16.94 60.61 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.5 t -149.57 -179.78 7.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.631 1.572 . . . . 0.0 112.015 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.4 161.65 13.82 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.618 1.567 . . . . 0.0 114.331 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.57 -24.31 65.32 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -175.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -59.35 -27.13 65.66 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.844 1.258 . . . . 0.0 113.278 177.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -68.21 -28.25 67.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.481 1.113 . . . . 0.0 113.253 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -81.15 68.97 7.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.307 1.443 . . . . 0.0 110.882 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -58.79 -46.12 88.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.655 1.582 . . . . 0.0 113.289 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -151.07 173.68 14.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.418 1.887 . . . . 0.0 111.783 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.573 1.549 . . . . 0.0 112.137 -177.025 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 37.0 m -64.86 164.88 11.6 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.199 1.4 . . . . 0.0 113.478 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -66.17 167.68 9.74 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.632 1.173 . . . . 0.0 113.254 171.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 16.2 tpt -62.11 -37.39 84.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.43 1.492 . . . . 0.0 114.259 -171.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 5.9 m 47.82 63.59 1.96 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.465 1.906 . . . . 0.0 112.794 -178.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 47.6 pt -63.59 155.28 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.876 0.871 . . . . 0.0 112.415 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 55.6 p -69.81 -19.85 63.47 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -59.71 -28.15 67.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.878 1.271 . . . . 0.0 114.38 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -3.8 54.92 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -75.96 -38.61 57.33 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.343 -0.848 . . . . 0.0 112.786 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 59.41 -55.43 0.06 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 129.174 2.989 . . . . 0.0 115.497 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 75.36 -46.59 1.92 Allowed Glycine 0 CA--C 1.537 1.456 0 C-N-CA 127.083 2.277 . . . . 0.0 115.65 172.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -71.85 -27.67 63.04 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.757 1.623 . . . . 0.0 113.312 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 12.0 t -66.71 156.94 33.97 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.479 1.112 . . . . 0.0 112.529 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 69.97 10.73 65.47 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.77 132.38 91.6 Favored Pre-proline 0 CA--C 1.554 1.097 0 CA-C-N 119.05 1.425 . . . . 0.0 111.679 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.46 164.29 13.43 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.587 2.858 . . . . 0.0 115.328 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -84.22 54.81 3.09 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.816 1.246 . . . . 0.0 108.054 168.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.2 mp 62.58 -0.81 0.5 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 129.024 2.93 . . . . 0.0 115.213 -169.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 6.2 m -53.65 -56.66 15.28 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.214 1.806 . . . . 0.0 114.187 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 18.7 m -100.43 -8.29 23.39 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 50.6 mtm -70.19 124.94 25.36 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 56.5 m -63.79 161.25 15.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.09 1.356 . . . . 0.0 110.508 169.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -50.85 -44.79 59.59 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.935 -1.103 . . . . 0.0 112.843 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.06 -35.65 79.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.128 0.971 . . . . 0.0 113.243 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -73.4 -42.4 62.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.221 1.008 . . . . 0.0 111.406 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.36 -43.37 92.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.061 0.944 . . . . 0.0 111.647 171.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 53.3 mt -58.36 -53.63 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.67 1.188 . . . . 0.0 110.94 171.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.88 75.87 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 120.115 1.325 . . . . 0.0 113.413 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -61.55 -45.93 92.06 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.461 1.104 . . . . 0.0 111.668 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.84 81.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.897 0.879 . . . . 0.0 112.851 171.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 44.5 mtt -55.59 -52.04 65.11 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.269 1.428 . . . . 0.0 111.61 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -55.66 -45.53 77.68 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.62 0.768 . . . . 0.0 112.624 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.8 mtm -64.37 -44.1 92.45 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.863 0.756 . . . . 0.0 112.202 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 36.5 p -66.49 -27.88 68.13 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.03 -42.04 97.23 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.662 1.185 . . . . 0.0 111.441 171.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -68.93 -40.9 78.76 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.178 0.591 . . . . 0.0 111.915 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.65 -29.82 70.79 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.434 1.016 . . . . 0.0 114.011 173.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -73.45 -73.72 0.2 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.814 1.646 . . . . 0.0 111.979 170.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -157.44 1.33 0.12 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -171.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 65.63 -59.96 0.28 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 128.146 2.579 . . . . 0.0 113.412 -169.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -65.76 -10.44 50.25 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 126.094 1.807 . . . . 0.0 116.615 -170.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.59 -21.51 63.59 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.216 1.508 . . . . 0.0 113.08 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.5 104.31 0.21 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.752 1.621 . . . . 0.0 112.439 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 63.42 -44.4 0.23 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 129.31 3.044 . . . . 0.0 115.573 -175.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 6.3 t -62.0 -16.08 48.83 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.0 1.72 . . . . 0.0 114.681 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -69.22 -14.11 62.78 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.537 1.535 . . . . 0.0 114.322 177.633 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptm . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.646 0.26 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -86.81 88.24 7.64 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.142 0.977 . . . . 0.0 110.585 -176.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.1 t -68.51 121.14 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.303 1.041 . . . . 0.0 109.067 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.5 m -79.15 141.42 37.26 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 170.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.1 mt -119.5 151.78 38.03 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.803 1.641 . . . . 0.0 111.501 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -132.18 125.35 30.98 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.03 1.732 . . . . 0.0 110.522 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 p -82.94 164.65 20.3 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.289 1.436 . . . . 0.0 111.401 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' B' ' 290' ' ' ALA . 34.7 mt -70.71 -21.11 62.6 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.19 -0.944 . . . . 0.0 113.319 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -76.15 6.07 5.92 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.256 1.422 . . . . 0.0 112.113 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 65.28 22.86 12.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.934 2.493 . . . . 0.0 113.826 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -89.08 157.11 18.44 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.355 1.062 . . . . 0.0 109.745 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.0 p -133.88 144.57 48.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.741 0.782 . . . . 0.0 112.271 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -146.2 178.0 8.56 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 127.044 2.138 . . . . 0.0 110.282 -172.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -134.08 153.08 52.03 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.088 -1.008 . . . . 0.0 111.853 169.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mm -136.94 114.86 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 126.51 1.924 . . . . 0.0 109.506 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -75.66 109.42 9.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 122.605 0.362 . . . . 0.0 110.509 169.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.0 tp -126.8 151.9 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 127.027 2.131 . . . . 0.0 111.49 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -84.14 121.17 75.48 Favored Pre-proline 0 CA--C 1.555 1.136 0 O-C-N 121.098 -1.001 . . . . 0.0 111.683 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.78 -18.81 31.96 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.29 2.66 . . . . 0.0 115.277 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.27 -20.88 56.95 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.243 0.929 . . . . 0.0 111.943 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.28 178.77 8.06 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.707 1.203 . . . . 0.0 111.825 169.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 42.1 p -101.18 176.22 5.33 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -169.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 53' ' ' LEU . 94.8 t -59.01 -34.18 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.698 0.799 . . . . 0.0 111.059 170.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.65 -31.82 71.95 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.14 -0.975 . . . . 0.0 112.754 171.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.82 64.58 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.506 1.048 . . . . 0.0 112.894 171.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 tp -54.74 -52.72 61.62 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.69 -1.256 . . . . 0.0 109.78 169.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -51.07 -45.54 61.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.768 1.227 . . . . 0.0 113.379 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -43.17 93.05 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.776 1.171 . . . . 0.0 112.505 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -65.51 -43.02 91.41 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.608 0.763 . . . . 0.0 112.885 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.93 -48.68 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.447 0.699 . . . . 0.0 110.401 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -46.36 88.87 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.512 1.125 . . . . 0.0 111.507 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 t -56.75 -46.71 81.23 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.885 1.674 . . . . 0.0 112.575 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.98 -56.56 4.8 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.19 1.396 . . . . 0.0 112.647 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -85.82 -17.51 35.51 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.828 1.251 . . . . 0.0 114.046 -170.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.96 149.35 23.98 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 127.16 2.314 . . . . 0.0 113.457 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -63.04 -25.68 68.49 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.939 1.295 . . . . 0.0 113.165 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -65.68 -28.84 69.37 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.57 1.148 . . . . 0.0 112.932 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.6 -48.16 4.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.901 1.28 . . . . 0.0 112.234 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.97 73.27 46.14 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.304 1.442 . . . . 0.0 111.832 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -71.77 147.49 50.55 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.666 2.244 . . . . 0.0 110.731 173.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.1 t -53.94 -47.27 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 C-N-CA 124.883 1.273 . . . . 0.0 112.765 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.9 76.74 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.21 -36.89 26.23 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.681 1.134 . . . . 0.0 113.145 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -55.14 151.8 8.8 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.238 1.015 . . . . 0.0 113.259 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -140.93 151.54 44.3 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.927 2.491 . . . . 0.0 107.415 168.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.19 121.12 22.07 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.716 1.606 . . . . 0.0 110.006 -169.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.64 123.21 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.821 1.248 . . . . 0.0 110.844 -169.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -132.38 147.73 52.39 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.97 1.308 . . . . 0.0 111.613 173.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.63 24.39 1.65 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.796 1.239 . . . . 0.0 114.284 -174.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.97 18.12 79.58 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.932 1.729 . . . . 0.0 115.695 -173.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -126.08 137.8 53.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.365 1.866 . . . . 0.0 111.229 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -71.12 126.54 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.458 0.703 . . . . 0.0 110.758 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HB3' HG21 ' A' ' 23' ' ' VAL . 31.2 mt -72.38 133.73 45.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.804 1.642 . . . . 0.0 111.045 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -73.88 124.42 26.1 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.805 0.842 . . . . 0.0 111.973 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.51 -46.32 27.31 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.833 1.653 . . . . 0.0 113.971 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.46 -12.31 52.21 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.397 1.479 . . . . 0.0 114.476 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.1 m -83.2 141.62 31.78 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.858 -1.151 . . . . 0.0 110.726 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.94 150.79 40.61 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.92 -34.64 78.43 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.296 -0.877 . . . . 0.0 112.965 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -55.23 -25.1 31.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.451 1.5 . . . . 0.0 114.619 172.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.87 -20.66 61.77 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.512 1.125 . . . . 0.0 113.082 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -105.89 -6.28 19.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.006 1.723 . . . . 0.0 112.929 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.62 43.48 4.76 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.144 2.578 . . . . 0.0 114.137 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.5 mt -58.25 140.65 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.78 1.632 . . . . 0.0 109.156 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -115.69 141.81 47.58 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.396 1.078 . . . . 0.0 111.936 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.44 -25.52 67.27 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.123 0.969 . . . . 0.0 112.522 175.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -66.4 -21.61 66.22 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.307 2.243 . . . . 0.0 114.254 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -118.56 176.74 5.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.941 1.697 . . . . 0.0 111.225 -174.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -115.98 150.99 36.29 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.98 0.912 . . . . 0.0 112.618 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.76 163.05 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 127.15 2.18 . . . . 0.0 108.709 169.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.3 t -107.34 123.56 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.606 -0.684 . . . . 0.0 110.271 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.19 139.5 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.341 1.456 . . . . 0.0 109.656 172.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.8 ptm -139.75 167.85 21.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.398 1.079 . . . . 0.0 111.096 169.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 p -134.58 103.56 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.424 1.09 . . . . 0.0 110.498 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.4 p -71.66 140.11 49.53 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.756 0.822 . . . . 0.0 110.567 174.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -64.94 125.98 90.21 Favored Pre-proline 0 N--CA 1.475 0.775 0 C-N-CA 124.316 1.046 . . . . 0.0 111.593 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -53.08 161.86 3.16 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.425 2.75 . . . . 0.0 114.619 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -83.78 5.7 23.96 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 93.82 0.2 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.626 1.571 . . . . 0.0 111.976 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.31 -174.36 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 126.366 1.866 . . . . 0.0 112.075 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 64.1 p -67.29 11.61 0.11 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 128.08 2.552 . . . . 0.0 116.419 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 p -58.03 158.76 12.31 Favored Pre-proline 0 N--CA 1.48 1.041 0 C-N-CA 125.881 1.672 . . . . 0.0 114.084 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -48.98 130.08 22.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.729 3.619 . . . . 0.0 115.87 -175.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.26 3.05 Favored Pre-proline 0 CA--C 1.558 1.268 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -55.27 166.3 2.48 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.757 2.971 . . . . 0.0 116.694 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.15 -21.51 23.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.25 1.82 . . . . 0.0 115.48 -172.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.7 m -52.79 -32.56 44.53 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.331 1.852 . . . . 0.0 113.511 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -111.84 -13.8 13.63 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.068 1.347 . . . . 0.0 114.079 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.0 -25.71 66.44 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.823 -1.173 . . . . 0.0 112.935 172.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -80.15 -5.5 56.13 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.161 1.384 . . . . 0.0 114.174 174.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -70.37 172.49 8.23 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.147 0.979 . . . . 0.0 112.804 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -52.61 132.61 35.9 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.931 1.692 . . . . 0.0 112.811 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -74.81 -10.9 59.95 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.7 t60 42.43 66.94 0.66 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.33 2.252 . . . . 0.0 114.055 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 75.4 t60 . . . . . 0 C--O 1.254 1.293 0 C-N-CA 126.06 1.744 . . . . 0.0 112.018 -178.496 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 70.5 p -67.55 170.24 7.93 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.124 1.37 . . . . 0.0 113.395 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -129.34 169.25 15.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.965 1.706 . . . . 0.0 111.336 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -66.48 164.41 16.47 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.808 1.243 . . . . 0.0 113.059 173.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 35.3 p -72.04 163.64 27.53 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.789 1.236 . . . . 0.0 112.546 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 10.0 tp -134.36 -8.51 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.436 1.495 . . . . 0.0 113.677 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 20.3 m -57.29 103.56 0.13 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.806 2.443 . . . . 0.0 113.593 -173.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -132.49 -17.3 2.6 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -173.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 55.04 -15.01 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 129.912 3.285 . . . . 0.0 118.483 175.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.53 -18.58 62.3 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.277 -1.514 . . . . 0.0 114.801 -176.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -66.09 -13.43 60.05 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.359 1.464 . . . . 0.0 113.972 169.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -61.61 -11.27 28.23 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.929 1.728 . . . . 0.0 115.885 -177.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -6.22 15.86 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.572 1.549 . . . . 0.0 114.854 169.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 6.2 t -66.69 172.13 4.54 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.257 1.423 . . . . 0.0 112.937 174.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 178.52 168.52 37.95 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.526 1.536 . . . . 0.0 113.156 175.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.47 120.61 79.72 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.016 1.326 . . . . 0.0 110.386 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -59.72 168.45 5.5 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.265 2.643 . . . . 0.0 113.876 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -81.67 53.86 2.24 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 122.485 1.136 . . . . 0.0 108.862 168.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.6 mp 61.15 4.19 0.83 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 129.621 3.168 . . . . 0.0 115.666 -169.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 5.8 m -49.39 -60.55 2.74 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.458 1.903 . . . . 0.0 114.659 -170.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 69.8 p -100.67 -9.19 22.11 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 55.2 mtm -64.82 127.72 32.77 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -172.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 43.5 p -66.03 174.07 2.71 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.24 1.016 . . . . 0.0 112.071 169.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.25 -44.21 75.31 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.886 -1.134 . . . . 0.0 112.431 173.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.7 -40.54 88.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.502 0.721 . . . . 0.0 112.344 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -67.78 -40.07 84.0 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.469 -0.769 . . . . 0.0 112.276 175.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -59.69 -45.36 92.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.557 1.143 . . . . 0.0 111.713 171.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 46.5 mt -57.42 -51.89 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.894 0.877 . . . . 0.0 111.004 171.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.08 -34.41 76.24 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.913 -1.117 . . . . 0.0 113.491 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -62.94 -43.15 99.59 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.112 -0.993 . . . . 0.0 111.937 170.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 290' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -57.81 -46.22 84.99 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.822 0.849 . . . . 0.0 112.306 171.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 47.8 mtt -57.66 -44.4 85.68 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.598 1.159 . . . . 0.0 112.115 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -62.14 -47.12 85.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.042 0.837 . . . . 0.0 112.724 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 62.2 mtm -61.53 -40.22 93.87 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.832 0.742 . . . . 0.0 112.014 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 21.7 t -59.34 -46.96 87.18 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.826 1.25 . . . . 0.0 112.826 171.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 51.4 mt -59.28 -35.46 73.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.85 1.26 . . . . 0.0 112.677 171.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -70.2 -30.51 67.63 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.367 -0.833 . . . . 0.0 112.894 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -72.48 -14.37 77.38 Favored Glycine 0 CA--C 1.54 1.608 0 O-C-N 121.643 -0.661 . . . . 0.0 113.597 169.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -100.49 -71.07 0.72 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.69 1.996 . . . . 0.0 113.455 -177.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -136.6 3.27 2.75 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.75 1.62 . . . . 0.0 114.834 -169.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 65.19 0.83 1.38 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -86.12 179.92 49.71 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.893 1.235 . . . . 0.0 113.681 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -92.85 178.67 5.7 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.816 1.246 . . . . 0.0 110.908 169.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -56.88 -38.14 72.35 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.869 -1.145 . . . . 0.0 112.998 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -71.71 -15.7 62.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.566 1.147 . . . . 0.0 114.081 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 15.9 m -78.5 -13.88 59.62 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.628 1.171 . . . . 0.0 113.711 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -64.04 149.65 47.04 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.41 1.084 . . . . 0.0 112.982 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.755 1.622 . . . . 0.0 113.915 178.793 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ptm . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -94.96 74.14 3.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.353 1.061 . . . . 0.0 111.148 -170.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.31 134.25 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.537 1.535 . . . . 0.0 109.691 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 m -79.86 131.22 35.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 169.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.34 148.37 26.46 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 126.408 1.883 . . . . 0.0 110.207 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -138.18 124.71 20.76 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.507 1.523 . . . . 0.0 111.167 173.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -81.94 168.32 18.01 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.316 1.046 . . . . 0.0 111.859 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' B' ' 290' ' ' ALA . 57.3 mt -68.44 -21.82 64.63 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.022 -1.049 . . . . 0.0 113.541 170.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -77.35 5.06 9.37 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.743 1.217 . . . . 0.0 111.783 169.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 63.75 26.23 14.39 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.265 2.626 . . . . 0.0 113.861 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -89.12 144.1 26.37 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.442 1.097 . . . . 0.0 109.933 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.7 p -132.63 136.41 46.48 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 122.139 0.971 . . . . 0.0 113.432 -171.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -150.63 177.87 9.63 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 128.082 2.553 . . . . 0.0 109.884 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -108.59 155.33 20.79 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.102 -0.999 . . . . 0.0 113.396 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.5 mm -128.48 112.03 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 127.263 2.225 . . . . 0.0 108.588 171.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -76.53 105.58 7.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.937 0.495 . . . . 0.0 110.323 169.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tp -124.11 153.37 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 126.231 1.812 . . . . 0.0 111.623 -174.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -85.23 124.8 71.51 Favored Pre-proline 0 CA--C 1.555 1.16 0 O-C-N 121.078 -1.014 . . . . 0.0 111.872 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.26 -22.01 26.09 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.38 2.72 . . . . 0.0 115.51 -175.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -79.99 -21.01 44.16 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.242 0.928 . . . . 0.0 111.855 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -74.91 170.59 15.65 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.21 1.005 . . . . 0.0 110.783 169.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 32.9 p -92.84 175.61 6.74 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 122.285 1.041 . . . . 0.0 113.58 -173.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.426 HG21 ' HB3' ' A' ' 53' ' ' LEU . 81.2 t -58.99 -30.78 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.793 0.837 . . . . 0.0 111.565 173.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -60.1 -32.27 70.82 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.072 -1.017 . . . . 0.0 112.811 170.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.59 -36.06 62.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.181 0.9 . . . . 0.0 112.826 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.24 -54.14 47.22 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.675 -1.266 . . . . 0.0 109.526 169.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -50.18 -45.87 53.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.856 1.262 . . . . 0.0 113.547 169.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -44.07 93.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.738 1.154 . . . . 0.0 112.757 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -69.9 -36.14 75.18 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.436 0.694 . . . . 0.0 112.404 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.52 -50.95 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.908 0.883 . . . . 0.0 110.569 169.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.85 -41.02 85.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.546 0.738 . . . . 0.0 111.419 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.5 m -62.91 -44.41 96.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.605 1.162 . . . . 0.0 112.834 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.34 -54.02 12.21 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.8 1.24 . . . . 0.0 112.42 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -89.98 -16.16 30.44 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.43 1.492 . . . . 0.0 114.085 -170.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.89 154.49 21.8 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.046 2.26 . . . . 0.0 113.221 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -60.84 -26.58 67.45 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.061 0.944 . . . . 0.0 113.083 173.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -60.88 -36.69 79.88 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.736 1.214 . . . . 0.0 112.447 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.24 -52.3 4.88 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.642 1.177 . . . . 0.0 112.086 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -141.13 78.62 18.89 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.908 1.283 . . . . 0.0 112.532 -169.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.39 139.73 29.27 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.044 2.496 . . . . 0.0 110.191 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.7 t -50.64 -47.44 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.705 -1.247 . . . . 0.0 112.469 -176.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -25.22 67.74 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.69 -28.3 9.01 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.052 1.311 . . . . 0.0 113.937 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -58.31 156.18 10.44 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.863 1.265 . . . . 0.0 113.287 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -141.02 148.62 40.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.913 2.485 . . . . 0.0 107.294 167.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.23 120.81 25.05 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 126.231 1.813 . . . . 0.0 109.416 -169.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.69 127.95 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.719 1.208 . . . . 0.0 110.797 -169.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -133.67 143.1 48.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.215 1.406 . . . . 0.0 111.07 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.58 29.68 3.15 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.0 13.97 82.81 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 126.791 2.139 . . . . 0.0 115.833 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -128.57 136.28 50.51 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.161 1.784 . . . . 0.0 111.715 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -70.47 129.45 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.488 0.715 . . . . 0.0 110.808 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.426 ' HB3' HG21 ' A' ' 23' ' ' VAL . 31.2 mt -73.59 128.03 34.37 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.111 1.765 . . . . 0.0 111.016 176.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -69.88 122.87 20.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.119 0.968 . . . . 0.0 111.713 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -47.75 -41.3 22.78 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.066 1.746 . . . . 0.0 114.574 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.25 -14.63 35.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.363 1.465 . . . . 0.0 113.891 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.9 m -84.47 145.56 28.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.328 1.051 . . . . 0.0 110.79 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.71 154.91 36.14 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.24 -33.06 74.9 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.356 -0.84 . . . . 0.0 113.043 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -51.77 -34.58 40.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.562 1.545 . . . . 0.0 113.059 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.02 -16.58 64.1 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.439 1.496 . . . . 0.0 113.879 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -109.22 -4.01 16.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.986 1.715 . . . . 0.0 112.948 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 48.58 36.16 7.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.54 2.336 . . . . 0.0 114.087 177.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.23 136.22 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.487 1.515 . . . . 0.0 110.152 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -100.6 156.46 17.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.242 1.017 . . . . 0.0 112.141 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -81.42 -24.9 36.59 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.872 0.869 . . . . 0.0 113.25 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -84.02 -37.67 21.88 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.699 1.6 . . . . 0.0 112.08 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -74.95 172.18 12.74 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.384 1.074 . . . . 0.0 111.526 172.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -117.54 150.3 39.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.459 1.104 . . . . 0.0 113.367 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.12 155.35 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 127.251 2.22 . . . . 0.0 108.234 169.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.9 t -105.96 131.33 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.71 -0.619 . . . . 0.0 110.048 174.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -116.95 138.35 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.38 1.472 . . . . 0.0 110.343 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -140.34 171.15 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.497 1.519 . . . . 0.0 111.09 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p -129.77 121.93 53.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.329 1.452 . . . . 0.0 108.867 172.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 p -73.42 147.79 43.9 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 121.357 -0.84 . . . . 0.0 112.607 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -63.95 130.72 94.65 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.707 1.203 . . . . 0.0 112.417 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -57.25 167.03 3.76 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.465 2.777 . . . . 0.0 114.116 169.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -114.29 -0.01 14.01 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.792 1.637 . . . . 0.0 114.249 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.31 170.05 18.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.217 1.807 . . . . 0.0 111.855 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.7 m -64.84 -15.56 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 125.192 1.397 . . . . 0.0 114.558 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.6 m 59.15 17.23 5.43 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.73 2.012 . . . . 0.0 115.686 173.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.9 p -67.35 162.81 52.46 Favored Pre-proline 0 N--CA 1.477 0.906 0 C-N-CA 125.707 1.603 . . . . 0.0 112.783 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -54.02 145.44 52.6 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.749 2.966 . . . . 0.0 114.683 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.4 -33.42 4.67 Favored Pre-proline 0 CA--C 1.556 1.206 0 N-CA-C 117.09 2.256 . . . . 0.0 117.09 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -55.14 155.22 19.91 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 123.324 2.683 . . . . 0.0 115.756 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.1 -176.62 5.29 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.538 1.935 . . . . 0.0 111.823 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.1 t -63.16 -14.41 48.47 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.406 1.482 . . . . 0.0 114.532 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.0 tp 50.16 42.44 25.24 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.522 1.929 . . . . 0.0 113.022 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.86 5.78 1.92 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.796 2.438 . . . . 0.0 115.975 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -76.56 48.55 0.55 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.332 1.453 . . . . 0.0 112.943 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -61.67 -31.05 71.15 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.613 1.565 . . . . 0.0 114.055 -175.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 63.9 t60 61.5 -54.55 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 129.594 3.157 . . . . 0.0 116.351 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.44 130.02 42.66 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.642 1.577 . . . . 0.0 112.738 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 56.13 -171.86 0.07 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.114 2.166 . . . . 0.0 114.694 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.205 0 C-N-CA 127.964 2.506 . . . . 0.0 111.729 172.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.528 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 49.0 m -73.59 174.23 8.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.258 1.423 . . . . 0.0 112.216 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -56.94 -32.28 65.84 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 120.917 -1.115 . . . . 0.0 113.098 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 47.5 tpp -69.63 -18.33 63.58 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.564 1.545 . . . . 0.0 113.969 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 9.7 m -77.51 71.33 3.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.336 1.454 . . . . 0.0 111.271 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 44.6 pt -68.27 163.94 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.589 1.555 . . . . 0.0 112.852 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 9.0 t -73.0 163.42 28.2 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.121 0.969 . . . . 0.0 112.757 175.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -133.91 13.83 3.97 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.672 2.389 . . . . 0.0 112.93 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -59.69 168.3 1.74 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.321 1.848 . . . . 0.0 115.083 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -131.78 162.74 29.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.583 1.953 . . . . 0.0 111.116 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -61.25 -23.61 65.77 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 115.486 1.662 . . . . 0.0 115.486 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 70.99 -65.26 0.9 Allowed Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.866 1.698 . . . . 0.0 114.849 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 59.9 -63.6 0.05 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 130.096 3.358 . . . . 0.0 114.55 -173.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 22.5 m 64.56 -60.75 0.21 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 128.877 2.871 . . . . 0.0 114.199 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -79.23 75.6 2.05 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.724 1.63 . . . . 0.0 112.778 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 17.0 tp -55.5 123.8 52.26 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 125.596 1.558 . . . . 0.0 111.308 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.2 164.46 34.19 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.159 2.573 . . . . 0.0 113.808 -172.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -80.6 50.01 1.26 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.449 1.5 . . . . 0.0 109.74 168.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.5 mt 66.06 -8.29 0.34 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.366 3.466 . . . . 0.0 116.023 -173.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 21.5 p -54.79 -58.77 6.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.384 1.874 . . . . 0.0 113.781 -176.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 49.6 m -91.24 0.07 57.59 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.358 1.463 . . . . 0.0 113.63 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 13.8 tpp -70.72 131.65 44.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.638 1.575 . . . . 0.0 112.088 -175.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 60.5 p -68.31 163.12 23.71 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.82 0.448 . . . . 0.0 110.138 169.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.3 -42.45 86.65 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.997 -1.065 . . . . 0.0 111.686 174.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.3 -43.0 82.79 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.805 0.842 . . . . 0.0 112.858 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.09 -32.57 70.7 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.753 1.16 . . . . 0.0 112.681 174.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -63.34 -43.9 96.41 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.115 0.87 . . . . 0.0 111.106 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 53.2 mt -59.98 -49.51 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.905 1.282 . . . . 0.0 111.051 169.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.87 75.74 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.824 -1.172 . . . . 0.0 113.433 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.54 -43.71 98.36 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.292 1.037 . . . . 0.0 111.645 169.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 290' ' ' ALA . . . . . 0.448 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -59.15 -47.47 85.19 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.244 1.018 . . . . 0.0 112.898 171.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 46.2 mtt -54.37 -55.1 31.96 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 125.461 1.504 . . . . 0.0 111.281 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -49.64 -47.77 49.7 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.396 1.079 . . . . 0.0 112.679 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 78.6 mtm -59.53 -54.24 48.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.872 0.76 . . . . 0.0 112.319 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 77.4 p -66.62 -29.75 69.86 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.85 -47.36 81.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.097 1.759 . . . . 0.0 111.163 173.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -66.43 -24.81 66.51 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.465 -0.772 . . . . 0.0 112.928 172.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -72.11 -8.76 70.41 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.945 1.259 . . . . 0.0 114.905 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -100.21 -147.49 0.35 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.214 1.806 . . . . 0.0 110.294 172.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.73 -8.67 59.21 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.048 1.739 . . . . 0.0 113.6 -172.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -79.14 2.74 19.81 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.977 1.711 . . . . 0.0 114.397 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -63.48 -11.88 43.39 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.011 1.291 . . . . 0.0 114.922 171.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.75 98.64 0.28 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.487 1.915 . . . . 0.0 110.851 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.18 157.87 21.39 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.553 1.141 . . . . 0.0 113.85 -175.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.95 -16.32 63.2 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.847 1.259 . . . . 0.0 113.92 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 23.1 m -68.46 -11.51 59.86 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.967 1.707 . . . . 0.0 114.465 175.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -64.98 163.79 13.93 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.685 1.194 . . . . 0.0 113.554 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.251 1.17 0 C-N-CA 126.721 2.008 . . . . 0.0 112.687 178.734 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -85.28 85.85 7.42 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.465 1.106 . . . . 0.0 111.078 -174.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.25 116.51 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.32 1.048 . . . . 0.0 109.14 171.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.0 m -79.08 140.47 37.86 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.817 -0.552 . . . . 0.0 109.63 170.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.6 mt -116.88 151.14 37.21 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 111.374 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -132.75 138.14 47.08 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.549 1.94 . . . . 0.0 110.198 169.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 p -99.82 167.2 10.68 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.508 1.123 . . . . 0.0 112.127 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.09 -24.08 67.34 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.765 0.826 . . . . 0.0 113.055 170.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -81.33 6.47 14.22 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.69 1.596 . . . . 0.0 112.796 171.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 64.81 23.72 12.72 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.015 2.126 . . . . 0.0 113.722 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -88.92 156.72 18.73 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.482 1.113 . . . . 0.0 109.446 173.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.5 p -135.24 143.84 46.55 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.713 0.768 . . . . 0.0 112.437 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -146.16 178.13 8.46 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.137 2.175 . . . . 0.0 110.193 -175.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -133.54 151.82 51.8 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.019 -1.051 . . . . 0.0 112.008 169.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -134.15 110.56 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 126.713 2.005 . . . . 0.0 108.794 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -73.6 107.35 5.82 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -124.45 152.66 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 127.168 2.187 . . . . 0.0 110.559 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -74.81 114.75 37.65 Favored Pre-proline 0 CA--C 1.55 0.971 0 O-C-N 121.039 -1.038 . . . . 0.0 111.212 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.52 -21.92 29.3 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.855 2.37 . . . . 0.0 113.54 -173.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -67.95 -22.44 65.04 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.328 1.051 . . . . 0.0 112.875 169.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -81.75 -177.92 6.76 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 122.542 1.163 . . . . 0.0 111.75 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 46.5 p -97.16 173.71 7.1 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -169.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.432 HG21 ' HB3' ' A' ' 53' ' ' LEU . 74.0 t -59.36 -39.42 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.413 1.085 . . . . 0.0 110.675 169.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -59.14 -38.2 79.1 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.96 1.304 . . . . 0.0 112.62 170.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.46 94.43 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.309 0.959 . . . . 0.0 113.005 170.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.49 -53.13 58.45 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.699 -1.25 . . . . 0.0 110.888 169.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -53.64 -40.57 65.95 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -49.59 68.73 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.497 1.519 . . . . 0.0 111.936 170.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -69.73 -36.87 76.22 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.743 1.217 . . . . 0.0 112.378 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.35 -51.35 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.779 1.231 . . . . 0.0 110.506 169.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.34 -44.61 84.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.205 1.002 . . . . 0.0 111.626 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -57.46 -50.17 73.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.078 1.351 . . . . 0.0 112.615 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -69.9 -54.31 14.01 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.266 1.026 . . . . 0.0 113.085 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -84.73 -18.86 33.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.966 1.307 . . . . 0.0 114.176 -170.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.38 148.12 21.16 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 127.083 2.278 . . . . 0.0 113.412 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.49 -31.19 71.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.094 1.358 . . . . 0.0 113.516 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -65.58 -35.62 81.35 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.064 0.945 . . . . 0.0 112.614 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.18 -49.94 6.95 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.532 1.133 . . . . 0.0 112.168 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -138.56 77.49 34.02 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.084 1.353 . . . . 0.0 111.643 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.25 148.46 55.58 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.697 2.265 . . . . 0.0 110.418 173.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.68 -45.0 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 124.203 1.001 . . . . 0.0 112.707 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.08 81.28 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.17 -39.33 58.26 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.272 0.939 . . . . 0.0 112.779 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -53.35 141.28 24.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.35 1.06 . . . . 0.0 112.897 172.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -130.0 151.79 50.17 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.643 1.977 . . . . 0.0 108.689 169.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.58 114.65 15.72 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.013 1.725 . . . . 0.0 109.842 -169.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.48 124.62 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.696 1.198 . . . . 0.0 110.353 -170.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.452 ' HB3' HD21 ' A' ' 53' ' ' LEU . 13.1 t80 -131.87 147.4 52.47 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.767 1.227 . . . . 0.0 111.789 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.87 28.39 3.69 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.84 12.92 82.16 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.607 2.051 . . . . 0.0 115.845 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -133.67 140.58 47.15 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.126 1.771 . . . . 0.0 112.227 -178.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -70.41 128.3 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.6 -0.688 . . . . 0.0 110.344 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 48' ' ' TYR . 39.0 mt -72.05 137.62 47.28 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.433 1.493 . . . . 0.0 110.998 176.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -72.83 123.4 23.31 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.536 -0.727 . . . . 0.0 111.067 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -53.43 -41.23 65.85 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -173.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -85.41 -9.93 56.89 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.136 0.974 . . . . 0.0 113.61 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.5 m -85.14 147.64 26.52 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.207 1.403 . . . . 0.0 110.919 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.87 156.9 37.22 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.93 -36.9 84.64 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -64.8 -19.53 65.88 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.285 1.434 . . . . 0.0 114.048 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.76 -18.83 65.61 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.461 1.104 . . . . 0.0 113.45 173.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -113.28 1.54 15.22 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.804 1.642 . . . . 0.0 112.479 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 47.31 36.73 5.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 128.027 2.531 . . . . 0.0 114.06 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.7 mt -56.97 136.27 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.784 1.233 . . . . 0.0 109.312 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -115.9 157.76 24.01 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.114 1.366 . . . . 0.0 111.34 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.64 -23.79 58.73 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.99 -34.85 20.7 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.695 1.198 . . . . 0.0 113.164 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -77.96 174.17 11.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.368 1.067 . . . . 0.0 111.23 172.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -125.3 152.36 44.78 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.62 162.46 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 127.048 2.139 . . . . 0.0 109.177 169.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.2 t -105.12 128.29 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.516 -0.74 . . . . 0.0 110.834 170.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.73 134.91 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 125.765 1.626 . . . . 0.0 109.836 170.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -137.46 168.92 18.68 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.791 1.237 . . . . 0.0 110.686 169.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.06 113.43 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.365 1.066 . . . . 0.0 110.427 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.0 p -73.0 160.81 31.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.934 0.894 . . . . 0.0 111.996 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.21 123.78 83.44 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 124.127 0.971 . . . . 0.0 110.92 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.78 164.51 2.3 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.761 2.974 . . . . 0.0 115.19 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -84.47 4.84 29.9 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.579 1.552 . . . . 0.0 113.454 172.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.5 167.61 17.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.38 1.872 . . . . 0.0 113.019 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.76 1.72 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 126.751 2.02 . . . . 0.0 114.988 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.1 m -64.86 -7.75 12.53 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.869 2.068 . . . . 0.0 116.029 -173.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.5 p -66.62 163.33 42.72 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 125.579 1.552 . . . . 0.0 113.24 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.83 159.25 14.72 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.422 2.748 . . . . 0.0 113.716 171.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.52 155.67 88.08 Favored Pre-proline 0 CA--C 1.555 1.136 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.2 170.12 2.47 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.093 3.195 . . . . 0.0 114.692 170.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.05 27.69 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 127.144 2.178 . . . . 0.0 114.972 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 34.3 p 60.98 -49.46 0.11 Allowed 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 131.06 3.744 . . . . 0.0 116.579 -172.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.9 tp 58.44 -32.52 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 130.617 3.567 . . . . 0.0 116.644 -176.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -61.14 -14.73 26.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.803 1.641 . . . . 0.0 114.43 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -60.86 -20.1 61.22 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.862 1.265 . . . . 0.0 113.307 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -71.28 76.48 0.73 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.624 1.569 . . . . 0.0 109.983 169.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -72.76 -10.12 59.43 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.366 1.866 . . . . 0.0 114.674 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -68.27 162.17 25.67 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.448 1.099 . . . . 0.0 112.236 171.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -56.1 115.74 2.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.783 1.233 . . . . 0.0 110.354 169.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.36 0 C-N-CA 125.24 1.416 . . . . 0.0 112.747 -172.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 54.8 p -62.86 -15.99 56.91 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -176.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -71.26 -15.42 62.44 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.884 1.274 . . . . 0.0 113.901 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 43.5 ttp -68.21 168.11 12.92 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.191 1.396 . . . . 0.0 111.986 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 13.4 p -72.29 58.72 0.39 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.818 2.047 . . . . 0.0 111.996 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.49 162.35 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.481 1.513 . . . . 0.0 113.63 -178.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 21.1 m -63.78 105.4 0.81 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.256 1.822 . . . . 0.0 112.992 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -71.5 2.24 5.33 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.204 1.802 . . . . 0.0 115.796 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -66.6 18.3 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 128.46 2.704 . . . . 0.0 117.216 -170.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -52.48 130.44 31.66 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.877 1.671 . . . . 0.0 113.227 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -73.34 174.71 7.72 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.42 1.488 . . . . 0.0 113.916 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -145.17 -178.43 20.74 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 126.178 1.847 . . . . 0.0 113.294 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 157.81 11.4 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.462 1.505 . . . . 0.0 113.9 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 26.1 p -65.88 -46.77 77.19 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.088 1.355 . . . . 0.0 113.22 175.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 86.7 90.0 0.98 Allowed Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.361 1.458 . . . . 0.0 113.139 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 17.3 tp -56.45 128.44 74.01 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 125.3 1.44 . . . . 0.0 111.355 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.53 168.95 22.8 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.085 2.524 . . . . 0.0 114.086 -172.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -78.63 42.76 0.45 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.429 1.892 . . . . 0.0 110.586 168.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 5.2 mt 75.31 -6.74 1.91 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 130.146 3.379 . . . . 0.0 115.087 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 16.5 m -54.68 -53.86 49.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.566 1.546 . . . . 0.0 114.437 -169.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 59.1 p -100.34 -3.67 30.74 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.01 1.724 . . . . 0.0 113.858 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 24.3 ttm -71.18 129.3 38.57 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.849 1.26 . . . . 0.0 112.4 -172.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 6.8 m -59.56 145.75 43.18 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.091 0.956 . . . . 0.0 110.496 172.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.43 -37.78 78.96 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.906 -1.121 . . . . 0.0 112.783 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.39 -29.81 70.56 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.743 0.817 . . . . 0.0 113.103 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -78.03 -36.81 48.18 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.203 -0.936 . . . . 0.0 111.892 174.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -59.08 -45.42 90.87 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.553 0.741 . . . . 0.0 110.285 170.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 48.5 mt -57.84 -51.54 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.261 1.424 . . . . 0.0 111.437 170.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.59 73.09 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.052 1.296 . . . . 0.0 113.549 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -61.78 -46.64 88.68 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.465 -0.772 . . . . 0.0 111.667 170.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.81 86.94 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 171.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 43.7 mtt -55.45 -57.17 13.01 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.608 1.163 . . . . 0.0 110.65 174.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -53.19 -47.62 68.71 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.233 0.924 . . . . 0.0 112.754 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 67.2 mtm -60.41 -49.15 78.7 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.413 -0.804 . . . . 0.0 112.375 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 43.1 p -67.85 -34.4 76.64 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 42.9 tp -58.59 -43.76 89.61 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.871 2.068 . . . . 0.0 110.809 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -67.93 -53.45 26.25 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.562 0.745 . . . . 0.0 112.035 171.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -55.52 -25.6 42.75 Favored Glycine 0 CA--C 1.54 1.607 0 CA-C-N 119.177 0.899 . . . . 0.0 115.015 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -78.06 -63.36 1.41 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.731 2.013 . . . . 0.0 113.694 173.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -135.47 0.2 2.74 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -168.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 45.75 52.95 9.19 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.646 1.578 . . . . 0.0 113.325 -173.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -72.47 -6.28 65.52 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.06 1.314 . . . . 0.0 116.172 -174.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 50.86 -92.32 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.664 2.385 . . . . 0.0 113.088 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -136.24 7.49 3.12 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.806 2.042 . . . . 0.0 113.038 175.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -84.68 -15.45 45.25 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.197 1.399 . . . . 0.0 114.032 -174.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 20.9 m 60.23 178.7 0.09 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.358 2.263 . . . . 0.0 114.791 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.78 169.52 11.22 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.133 1.373 . . . . 0.0 113.226 175.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.889 2.076 . . . . 0.0 112.544 176.229 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -111.97 75.55 0.92 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.559 1.144 . . . . 0.0 109.819 -174.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.34 151.17 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.92 1.288 . . . . 0.0 112.36 -178.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.6 m -91.88 138.45 31.54 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 168.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.63 152.87 32.31 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.686 1.994 . . . . 0.0 110.395 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -137.42 141.71 41.65 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.864 1.666 . . . . 0.0 111.458 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 p -106.07 164.33 12.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.548 1.539 . . . . 0.0 111.963 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.97 -24.59 65.17 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.249 -0.907 . . . . 0.0 112.972 173.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -74.14 5.19 4.61 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.801 2.041 . . . . 0.0 112.688 171.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 68.17 20.46 8.89 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.065 2.146 . . . . 0.0 113.281 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -89.37 152.76 21.34 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.113 0.965 . . . . 0.0 110.201 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -136.17 138.02 41.52 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.001 0.92 . . . . 0.0 111.563 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -143.28 -179.05 6.17 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.742 2.017 . . . . 0.0 110.348 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -126.87 152.74 46.64 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.041 -1.037 . . . . 0.0 112.13 170.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -133.44 113.48 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.575 1.95 . . . . 0.0 110.188 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -80.95 100.51 8.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.893 1.677 . . . . 0.0 110.994 169.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tp -128.68 157.37 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.773 2.029 . . . . 0.0 111.668 -173.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.89 123.77 77.57 Favored Pre-proline 0 CA--C 1.556 1.183 0 O-C-N 120.917 -1.114 . . . . 0.0 111.833 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.46 -20.73 26.99 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.909 3.073 . . . . 0.0 114.777 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.32 -19.18 34.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.03 0.932 . . . . 0.0 112.205 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -73.6 170.3 15.48 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.189 0.995 . . . . 0.0 111.411 169.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 55.0 p -86.62 170.92 11.41 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -177.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -59.78 -26.62 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.234 -0.916 . . . . 0.0 111.954 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -61.62 -32.02 72.14 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.439 -1.413 . . . . 0.0 112.685 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.8 67.83 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.166 0.894 . . . . 0.0 112.55 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.5 -52.98 62.71 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.617 -1.302 . . . . 0.0 109.445 169.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.6 -45.89 57.64 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -45.34 89.35 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.581 1.082 . . . . 0.0 112.801 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -67.52 -38.26 83.99 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 123.732 0.813 . . . . 0.0 112.952 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.4 mt -60.59 -48.77 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.138 0.881 . . . . 0.0 110.639 171.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -47.12 82.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.323 1.049 . . . . 0.0 111.574 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.9 t -59.54 -50.28 74.51 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.283 1.433 . . . . 0.0 112.548 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -72.18 -47.92 47.15 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.677 1.191 . . . . 0.0 113.228 -174.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -94.9 -13.66 25.23 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.08 1.352 . . . . 0.0 114.099 -171.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.55 138.29 6.27 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 126.546 2.022 . . . . 0.0 112.711 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -65.52 -19.16 65.81 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -61.61 -39.92 92.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.278 1.031 . . . . 0.0 111.992 171.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.03 -49.12 10.6 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.433 1.093 . . . . 0.0 111.688 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -139.18 80.23 23.95 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.13 1.372 . . . . 0.0 112.341 -170.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.74 141.94 28.09 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.042 2.495 . . . . 0.0 110.451 176.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.66 -43.55 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.573 -1.329 . . . . 0.0 112.806 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.73 61.28 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.6 -25.7 8.51 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 125.282 1.42 . . . . 0.0 114.017 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -59.09 146.32 39.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.85 1.26 . . . . 0.0 112.849 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -129.81 149.44 51.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.574 1.95 . . . . 0.0 108.393 168.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.62 120.07 27.32 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.746 1.618 . . . . 0.0 109.167 -173.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.32 121.9 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.888 1.275 . . . . 0.0 110.55 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -133.08 149.07 52.17 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.661 1.184 . . . . 0.0 111.257 173.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.7 28.3 2.59 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.05 22.16 79.28 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 126.98 2.229 . . . . 0.0 116.132 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -135.2 147.8 49.47 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.39 1.595 . . . . 0.0 112.236 170.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -72.63 123.24 26.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 123.591 0.756 . . . . 0.0 109.679 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -67.31 137.41 56.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.298 1.439 . . . . 0.0 110.784 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -68.46 116.25 8.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 170.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -63.93 -23.87 67.51 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -80.86 -7.81 59.55 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.795 1.238 . . . . 0.0 113.608 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.2 m -98.4 151.38 20.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.474 1.51 . . . . 0.0 111.287 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.44 154.91 36.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -172.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.69 -33.85 76.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.844 0.858 . . . . 0.0 111.926 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -52.52 -38.27 59.31 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.653 1.981 . . . . 0.0 113.596 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.53 -34.21 77.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.278 1.031 . . . . 0.0 112.934 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -97.0 -4.06 40.45 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.186 1.394 . . . . 0.0 112.098 -174.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm 53.05 31.36 11.01 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.272 2.629 . . . . 0.0 113.647 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 mt -60.58 133.68 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 126.258 1.823 . . . . 0.0 110.096 -174.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -101.78 153.44 19.81 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.33 1.052 . . . . 0.0 112.263 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.94 -33.57 65.99 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.859 1.264 . . . . 0.0 113.17 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -77.84 -36.23 50.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.381 1.472 . . . . 0.0 112.013 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -77.0 170.96 15.58 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.785 1.634 . . . . 0.0 111.675 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -120.62 142.46 49.39 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -96.12 163.64 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.774 1.63 . . . . 0.0 110.013 169.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.6 t -112.2 130.46 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.551 -0.718 . . . . 0.0 110.534 172.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.6 p -115.53 137.14 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.663 1.585 . . . . 0.0 110.409 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.82 177.67 7.67 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.492 1.517 . . . . 0.0 111.136 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p -128.98 147.67 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.216 1.406 . . . . 0.0 109.79 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.4 p -129.52 158.05 40.33 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.713 2.005 . . . . 0.0 111.034 -176.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.21 121.34 83.76 Favored Pre-proline 0 N--CA 1.473 0.709 0 C-N-CA 124.68 1.192 . . . . 0.0 110.187 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -51.63 156.98 5.71 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.424 2.749 . . . . 0.0 115.247 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -103.88 1.49 31.46 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.188 1.395 . . . . 0.0 113.008 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.49 23.6 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.728 2.411 . . . . 0.0 115.611 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.96 -33.87 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 126.011 1.724 . . . . 0.0 111.188 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.4 m -136.39 171.1 14.98 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.147 2.179 . . . . 0.0 110.607 171.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.1 p -61.65 119.3 46.14 Favored Pre-proline 0 N--CA 1.478 0.948 0 C-N-CA 124.81 1.244 . . . . 0.0 111.788 174.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.92 133.1 50.19 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.476 2.784 . . . . 0.0 113.342 176.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -141.94 87.29 9.96 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 125.024 1.33 . . . . 0.0 111.411 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -53.31 164.32 1.98 Allowed 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 124.111 3.207 . . . . 0.0 114.422 172.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.57 -15.17 25.05 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.0 m -66.68 -27.98 68.09 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.108 1.763 . . . . 0.0 113.146 173.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.43 175.59 10.16 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.884 1.674 . . . . 0.0 111.438 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.62 -10.6 19.49 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 171.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -64.09 92.17 0.08 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.282 1.833 . . . . 0.0 112.361 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -74.2 80.52 1.8 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.179 1.392 . . . . 0.0 110.177 170.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -59.85 -26.09 65.55 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.241 1.416 . . . . 0.0 114.311 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -72.64 93.67 1.65 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.253 1.421 . . . . 0.0 111.086 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -139.43 174.65 10.29 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.913 1.685 . . . . 0.0 111.894 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 126.206 1.802 . . . . 0.0 113.283 176.764 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 37.8 m -65.23 164.07 14.02 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.09 1.356 . . . . 0.0 113.366 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -67.45 -16.64 64.33 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 6.5 tmm? -74.91 63.45 1.2 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.308 1.843 . . . . 0.0 111.545 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 43.0 p -140.71 -16.36 0.89 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.464 2.305 . . . . 0.0 113.021 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 32.4 pt -129.36 33.57 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 127.161 2.184 . . . . 0.0 111.532 -175.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 19.3 m -57.87 -17.12 14.41 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -169.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -70.08 -14.16 62.54 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.489 1.116 . . . . 0.0 113.107 169.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -131.42 -4.69 3.78 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.636 2.374 . . . . 0.0 113.995 -174.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.91 164.52 4.8 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.692 1.133 . . . . 0.0 112.861 174.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -67.09 -32.09 73.01 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.896 -1.128 . . . . 0.0 113.059 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -82.31 69.01 3.41 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.6 1.572 . . . . 0.0 113.887 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -132.92 155.43 49.09 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.428 1.891 . . . . 0.0 112.153 175.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . 0.258 4.9 t 45.08 -160.5 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 128.531 2.732 . . . . 0.0 115.296 173.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -146.19 173.41 26.49 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 126.915 2.197 . . . . 0.0 112.477 175.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.65 130.56 94.58 Favored Pre-proline 0 CA--C 1.553 1.058 0 C-N-CA 123.949 0.899 . . . . 0.0 111.537 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -61.88 166.66 11.77 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.675 2.917 . . . . 0.0 115.226 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.22 51.0 1.7 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.366 1.466 . . . . 0.0 109.061 168.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 8.4 mp 61.19 0.12 0.39 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 129.26 3.024 . . . . 0.0 116.052 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 24.2 t -60.06 -56.54 20.33 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.81 1.244 . . . . 0.0 114.196 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 6.0 t -100.23 -6.19 26.44 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.956 1.303 . . . . 0.0 113.254 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 8.5 ttm -72.57 121.24 19.36 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.245 1.418 . . . . 0.0 111.777 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 65.6 p -63.98 163.29 12.44 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.561 0.744 . . . . 0.0 112.073 174.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.98 -38.43 85.94 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.003 -1.061 . . . . 0.0 112.588 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.39 -36.09 78.63 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.241 -0.912 . . . . 0.0 112.895 175.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.32 -37.45 74.72 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.825 -1.172 . . . . 0.0 112.211 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -60.1 -42.91 95.71 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.163 0.985 . . . . 0.0 111.111 171.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 45.0 mt -57.05 -53.86 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.698 1.199 . . . . 0.0 110.871 170.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.68 77.09 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.722 1.147 . . . . 0.0 113.478 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -60.33 -46.39 90.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.86 1.264 . . . . 0.0 111.661 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.75 83.29 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.473 -0.767 . . . . 0.0 112.967 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 50.1 mtt -55.85 -51.67 66.71 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.697 1.199 . . . . 0.0 111.212 175.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -55.55 -44.18 76.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.125 0.97 . . . . 0.0 113.058 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.7 mtm -62.81 -48.81 77.51 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.726 0.694 . . . . 0.0 111.788 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 47.7 p -63.83 -33.02 74.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.37 -48.32 81.8 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.99 1.316 . . . . 0.0 111.203 170.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.85 -36.63 84.95 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.568 -0.708 . . . . 0.0 112.116 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.03 96.14 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 123.755 0.693 . . . . 0.0 112.894 169.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -71.01 -0.87 10.34 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.383 1.873 . . . . 0.0 114.834 172.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 86.98 11.92 0.14 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 130.008 3.323 . . . . 0.0 113.392 172.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -63.67 114.93 4.29 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.12 -0.988 . . . . 0.0 110.644 171.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -176.09 -165.85 32.54 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.667 1.127 . . . . 0.0 113.447 -172.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -65.92 -2.42 3.89 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -54.5 130.83 41.15 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.228 1.411 . . . . 0.0 112.845 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.31 -38.98 92.95 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.676 1.19 . . . . 0.0 113.338 -174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 15.9 t -153.61 168.12 27.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.422 1.489 . . . . 0.0 111.916 175.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -135.51 4.61 3.13 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.903 2.081 . . . . 0.0 113.197 173.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--O 1.255 1.349 0 C-N-CA 126.097 1.759 . . . . 0.0 114.135 -179.525 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.609 0.719 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -89.63 78.49 6.98 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 125.367 1.467 . . . . 0.0 111.8 -170.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.25 121.73 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.841 1.656 . . . . 0.0 110.285 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.3 m -79.6 140.71 37.04 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.899 -0.5 . . . . 0.0 109.98 169.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 mt -116.45 153.41 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.836 1.655 . . . . 0.0 111.807 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -134.72 133.49 40.01 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.943 1.697 . . . . 0.0 110.523 169.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 p -91.17 166.28 13.04 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.095 1.358 . . . . 0.0 111.617 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' B' ' 290' ' ' ALA . 34.7 mt -70.94 -14.66 62.45 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.177 -0.952 . . . . 0.0 113.262 172.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -86.67 10.58 15.25 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.009 1.724 . . . . 0.0 112.027 169.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 67.91 16.18 9.6 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.053 2.141 . . . . 0.0 113.953 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -89.39 155.53 19.28 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.417 1.087 . . . . 0.0 110.158 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.1 p -136.27 139.55 42.77 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.638 -0.664 . . . . 0.0 112.721 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -142.66 174.15 10.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.549 1.939 . . . . 0.0 110.74 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -131.45 141.34 49.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.391 1.076 . . . . 0.0 111.896 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mm -132.58 111.8 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.692 1.997 . . . . 0.0 109.454 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -76.21 104.37 6.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.856 0.462 . . . . 0.0 110.626 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.9 tp -119.29 150.18 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 126.609 1.964 . . . . 0.0 111.023 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.93 114.5 33.33 Favored Pre-proline 0 CA--C 1.55 0.969 0 O-C-N 121.162 -0.961 . . . . 0.0 111.368 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.27 -16.7 31.39 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.881 2.387 . . . . 0.0 113.564 -175.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -73.91 -18.55 60.89 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.659 1.583 . . . . 0.0 112.906 170.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -87.02 178.1 7.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.829 1.252 . . . . 0.0 111.985 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 42.5 p -91.21 173.37 7.96 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -173.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 53' ' ' LEU . 77.6 t -59.98 -34.02 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.195 0.998 . . . . 0.0 111.459 173.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.75 -34.19 71.12 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.182 -0.949 . . . . 0.0 112.508 171.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.56 -37.59 74.02 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.077 0.853 . . . . 0.0 112.868 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.19 -53.7 52.7 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.575 -1.328 . . . . 0.0 110.082 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -51.37 -43.07 61.77 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -45.57 92.79 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.565 1.075 . . . . 0.0 112.716 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -68.52 -37.56 80.14 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.488 0.715 . . . . 0.0 112.243 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.4 -51.59 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.369 1.067 . . . . 0.0 110.598 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -46.47 79.79 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.489 1.116 . . . . 0.0 111.602 177.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -59.15 -49.16 78.94 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.955 1.302 . . . . 0.0 112.791 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.88 -58.09 4.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.597 1.159 . . . . 0.0 112.813 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.45 -18.75 54.44 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.955 1.302 . . . . 0.0 113.875 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.66 139.21 6.13 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 126.676 2.084 . . . . 0.0 112.135 -171.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -67.08 -17.16 64.76 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.44 -43.88 97.76 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.6 -0.687 . . . . 0.0 111.353 169.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.99 -46.36 14.09 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.549 1.14 . . . . 0.0 112.09 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -138.06 76.19 39.72 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.491 1.516 . . . . 0.0 111.957 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.45 142.3 44.57 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.622 2.215 . . . . 0.0 110.06 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.3 t -51.92 -46.45 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 121.177 -0.952 . . . . 0.0 112.03 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.47 -17.64 64.76 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.28 -26.16 7.49 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.328 1.442 . . . . 0.0 114.136 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -62.58 141.89 58.26 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.561 1.144 . . . . 0.0 113.262 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -129.94 141.73 50.74 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.743 2.017 . . . . 0.0 107.991 168.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.36 127.37 46.5 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.2 1.8 . . . . 0.0 110.456 -169.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.79 125.86 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.802 1.241 . . . . 0.0 111.212 -169.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -130.95 146.45 52.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.995 1.318 . . . . 0.0 111.89 171.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.23 29.65 3.84 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.783 1.233 . . . . 0.0 114.301 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.51 13.21 83.14 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.998 1.285 . . . . 0.0 115.221 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -125.7 133.77 52.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.79 2.036 . . . . 0.0 111.177 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -69.27 126.48 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 121.687 0.756 . . . . 0.0 111.113 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' HB3' HG21 ' A' ' 23' ' ' VAL . 28.8 mt -69.4 120.05 14.61 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.747 2.019 . . . . 0.0 110.726 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -69.44 124.66 24.48 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.989 0.915 . . . . 0.0 111.55 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.61 -50.43 42.83 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.406 1.882 . . . . 0.0 114.511 -172.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.57 -14.74 59.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.096 1.358 . . . . 0.0 113.806 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.0 m -82.53 149.95 27.22 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.91 1.284 . . . . 0.0 110.8 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.97 155.79 32.42 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.98 -31.33 72.18 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.551 -0.718 . . . . 0.0 112.879 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -48.47 -39.81 24.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.676 1.99 . . . . 0.0 113.135 171.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -65.56 -16.41 63.66 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.768 1.627 . . . . 0.0 114.446 -174.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -114.84 -1.27 13.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.567 1.547 . . . . 0.0 112.503 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm 46.65 39.9 7.7 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.753 2.421 . . . . 0.0 113.719 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 53.6 mt -59.66 137.16 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.471 1.508 . . . . 0.0 109.816 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -103.99 162.81 12.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.027 1.331 . . . . 0.0 111.711 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -82.69 -37.32 24.96 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.225 1.01 . . . . 0.0 112.931 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -78.36 -39.06 40.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.582 1.553 . . . . 0.0 111.52 -176.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -73.95 166.68 22.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.878 1.271 . . . . 0.0 110.347 171.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -116.11 151.33 35.82 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 122.266 1.031 . . . . 0.0 113.703 -176.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.8 158.37 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 127.641 2.377 . . . . 0.0 107.451 169.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.2 t -105.45 124.41 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 121.276 -0.89 . . . . 0.0 110.211 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -104.77 138.01 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.568 1.547 . . . . 0.0 109.624 171.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -138.05 163.34 31.83 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.807 1.243 . . . . 0.0 111.085 170.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.12 111.8 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 124.674 1.19 . . . . 0.0 110.08 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.6 p -86.16 142.79 28.38 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.355 1.062 . . . . 0.0 113.471 -171.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -157.78 168.2 12.93 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 127.47 2.308 . . . . 0.0 110.616 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -58.04 170.69 2.01 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.621 2.881 . . . . 0.0 114.638 169.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -71.23 -16.9 62.52 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.705 0.802 . . . . 0.0 112.93 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.83 171.42 15.21 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.805 2.042 . . . . 0.0 112.127 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.7 t 51.06 70.67 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 126.024 1.73 . . . . 0.0 110.964 -175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m -137.23 171.7 14.1 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.189 1.796 . . . . 0.0 112.051 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.6 p -64.66 163.4 27.91 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 125.022 1.329 . . . . 0.0 112.635 170.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.24 160.81 6.01 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.794 2.996 . . . . 0.0 114.727 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.95 162.01 42.0 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 125.38 1.472 . . . . 0.0 112.789 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.59 -2.69 12.2 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.502 2.801 . . . . 0.0 115.332 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -143.23 166.47 24.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.765 2.026 . . . . 0.0 111.361 170.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 34.1 p -77.69 -20.85 52.93 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.74 -43.45 80.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.001 1.321 . . . . 0.0 112.789 -175.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -62.73 -11.89 20.45 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.427 1.491 . . . . 0.0 114.203 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -112.6 4.55 17.34 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.707 2.003 . . . . 0.0 112.793 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -135.26 12.85 3.55 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.037 2.135 . . . . 0.0 112.43 -175.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.436 ' CG ' ' H ' ' A' ' 93' ' ' HIS . 12.9 t-80 -74.19 -175.79 2.38 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.422 1.889 . . . . 0.0 112.892 -175.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.436 ' H ' ' CG ' ' A' ' 92' ' ' HIS . 79.7 m-70 -61.3 -0.66 0.39 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.791 2.036 . . . . 0.0 115.668 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -63.72 -18.11 63.69 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.009 1.324 . . . . 0.0 113.8 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 69.0 t60 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.66 1.984 . . . . 0.0 113.107 178.173 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 16.2 t -142.05 179.45 6.88 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.45 1.9 . . . . 0.0 111.174 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -56.83 -30.87 64.18 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.832 1.253 . . . . 0.0 113.089 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 65.6 mtt -76.91 -13.13 60.02 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.258 1.423 . . . . 0.0 114.357 176.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 32.9 m -71.32 105.37 3.47 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.694 1.198 . . . . 0.0 111.111 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 47.3 pt -65.53 169.72 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.067 1.347 . . . . 0.0 113.051 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 21.6 m -59.83 155.39 16.34 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.293 1.437 . . . . 0.0 113.726 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -68.44 172.65 5.78 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.674 1.19 . . . . 0.0 113.718 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -130.97 175.51 9.02 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.533 1.933 . . . . 0.0 111.102 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.1 -23.94 10.61 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.854 1.661 . . . . 0.0 113.928 -177.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 57.58 -9.53 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 129.124 2.97 . . . . 0.0 117.909 175.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 175.09 -166.19 37.68 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.135 1.35 . . . . 0.0 113.526 -175.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -65.09 90.51 0.09 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.228 1.811 . . . . 0.0 111.946 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 34.4 p -83.67 -12.76 55.5 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.311 1.444 . . . . 0.0 113.993 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -88.37 -98.3 0.96 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.017 1.294 . . . . 0.0 114.312 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 16.3 tp -147.35 148.05 30.31 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.597 1.559 . . . . 0.0 110.831 -170.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.05 163.78 18.71 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.73 2.287 . . . . 0.0 114.001 171.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -83.19 54.9 2.93 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.498 1.119 . . . . 0.0 108.418 168.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 10.1 mp 62.47 0.21 0.6 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 129.011 2.925 . . . . 0.0 115.425 -169.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 6.9 m -52.61 -62.23 1.78 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.849 1.66 . . . . 0.0 113.773 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 15.0 m -88.46 -11.98 44.36 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.331 1.052 . . . . 0.0 113.802 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 64.5 mtm -71.63 127.74 33.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.126 0.97 . . . . 0.0 113.057 -175.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 7.3 m -63.95 164.33 10.58 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.459 1.904 . . . . 0.0 109.84 169.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.53 -40.43 75.07 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.311 -1.493 . . . . 0.0 112.448 175.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.7 -32.45 73.95 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.286 -0.884 . . . . 0.0 113.03 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.0 -39.74 49.29 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.477 1.111 . . . . 0.0 111.588 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -59.37 -44.85 92.66 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.402 1.081 . . . . 0.0 111.163 169.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 41.1 mt -56.96 -53.45 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.854 1.261 . . . . 0.0 110.911 170.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.03 -33.54 73.45 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.037 1.289 . . . . 0.0 113.434 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -63.68 -45.63 89.21 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.249 1.019 . . . . 0.0 111.684 169.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 290' ' ' ALA . . . . . 0.438 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -56.69 -47.76 79.16 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.208 1.003 . . . . 0.0 112.713 171.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 43.4 mtt -54.13 -57.81 9.71 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 125.731 1.613 . . . . 0.0 110.801 173.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.76 -41.88 67.64 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.879 1.271 . . . . 0.0 113.577 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.99 -53.34 47.71 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.078 0.853 . . . . 0.0 111.596 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 47.2 t -53.99 -47.6 71.26 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.613 1.565 . . . . 0.0 113.5 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 24.2 tp -58.61 -41.3 85.58 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 128.23 2.612 . . . . 0.0 112.415 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -76.99 -32.81 57.48 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.703 0.801 . . . . 0.0 112.741 174.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.21 -36.98 92.21 Favored Glycine 0 CA--C 1.536 1.395 0 O-C-N 121.641 -0.662 . . . . 0.0 112.311 169.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -73.39 -64.85 0.9 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.01 1.724 . . . . 0.0 113.725 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -146.58 -33.47 0.3 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -169.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -77.13 173.56 11.7 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.199 1.0 . . . . 0.0 113.64 -173.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 96.61 5.75 58.71 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.786 1.184 . . . . 0.0 115.238 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -137.66 149.59 46.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.928 1.691 . . . . 0.0 111.115 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -73.47 172.46 11.26 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.346 1.458 . . . . 0.0 113.36 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.79 167.24 19.88 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.322 1.849 . . . . 0.0 112.986 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 56.1 p -68.92 -10.43 57.17 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -70.17 -22.31 62.98 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 34.6 t70 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.757 1.623 . . . . 0.0 113.502 177.672 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.81 83.12 7.25 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.979 0.912 . . . . 0.0 111.525 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.06 115.53 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.548 1.139 . . . . 0.0 108.902 169.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -79.29 140.31 37.61 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.968 0.413 . . . . 0.0 109.931 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.1 mt -118.06 153.07 34.34 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.78 1.632 . . . . 0.0 111.956 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -133.28 130.18 38.61 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 126.236 1.814 . . . . 0.0 109.576 168.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.8 p -82.0 169.34 16.86 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.103 1.361 . . . . 0.0 111.726 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -64.55 -19.38 65.6 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -96.39 16.18 19.25 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.031 1.332 . . . . 0.0 111.875 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 61.37 27.37 17.0 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.672 2.389 . . . . 0.0 114.849 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -89.11 154.27 20.3 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.878 0.871 . . . . 0.0 109.464 171.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 63.3 p -135.63 145.86 47.27 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -171.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -147.75 171.52 15.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.951 2.101 . . . . 0.0 110.81 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -122.48 142.76 50.23 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.744 1.218 . . . . 0.0 111.58 169.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.7 mm -126.84 108.26 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 126.925 2.09 . . . . 0.0 108.691 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.7 102.62 2.84 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.895 0.478 . . . . 0.0 110.754 172.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 tp -121.57 150.78 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 126.468 1.907 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.65 119.13 72.29 Favored Pre-proline 0 CA--C 1.552 1.046 0 O-C-N 120.829 -1.17 . . . . 0.0 110.825 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.24 -12.86 28.04 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.033 2.489 . . . . 0.0 114.355 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -87.84 -13.75 41.31 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.035 -1.041 . . . . 0.0 112.583 171.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -80.89 179.63 7.75 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.234 1.014 . . . . 0.0 110.925 169.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.504 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 29.9 p -94.69 173.99 7.33 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -169.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' A' ' 53' ' ' LEU . 88.2 t -61.59 -36.48 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.345 1.058 . . . . 0.0 111.023 170.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.21 -37.01 81.47 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.057 -1.027 . . . . 0.0 112.103 170.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.74 93.94 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 118.942 0.792 . . . . 0.0 112.931 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.37 -54.61 41.5 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.843 -1.161 . . . . 0.0 110.983 169.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -51.45 -41.26 60.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.457 1.103 . . . . 0.0 113.206 171.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -51.28 63.52 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.171 1.388 . . . . 0.0 111.889 172.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -70.19 -35.78 74.17 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.472 0.709 . . . . 0.0 112.597 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.52 -53.81 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.544 1.138 . . . . 0.0 110.078 169.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.3 -46.62 85.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.724 0.81 . . . . 0.0 112.144 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -59.15 -48.55 81.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.482 1.113 . . . . 0.0 112.66 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.92 -53.79 10.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.655 1.182 . . . . 0.0 112.706 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -86.82 -11.93 49.45 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.911 1.284 . . . . 0.0 114.103 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.73 143.92 15.25 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 127.282 2.373 . . . . 0.0 113.965 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -63.71 -28.95 70.24 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.901 1.28 . . . . 0.0 113.962 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.07 -58.05 8.59 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 122.361 1.076 . . . . 0.0 111.505 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.21 -40.4 59.25 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.79 1.636 . . . . 0.0 113.522 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.02 68.34 56.82 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.143 0.977 . . . . 0.0 113.573 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.35 144.47 45.86 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.132 2.555 . . . . 0.0 110.983 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.42 -53.48 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 125.545 1.538 . . . . 0.0 111.91 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.2 -15.68 36.77 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.056 1.343 . . . . 0.0 114.618 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.68 -16.34 42.76 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.957 1.265 . . . . 0.0 114.627 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -81.78 144.41 31.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.234 1.517 . . . . 0.0 112.944 -174.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -128.95 134.46 48.21 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.645 1.978 . . . . 0.0 107.517 168.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.04 125.47 48.41 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.629 1.971 . . . . 0.0 109.888 -169.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.23 127.2 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.577 1.151 . . . . 0.0 111.208 -170.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -132.11 144.08 50.46 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.987 1.315 . . . . 0.0 110.924 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.85 30.07 4.86 Favored 'General case' 0 CA--C 1.556 1.191 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.67 18.34 79.46 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 126.59 2.043 . . . . 0.0 115.409 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -128.15 127.16 42.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.938 2.095 . . . . 0.0 110.738 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -68.12 124.65 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.734 -0.603 . . . . 0.0 110.344 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' HB3' HG21 ' A' ' 23' ' ' VAL . 27.2 mt -68.11 129.06 38.77 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.211 1.804 . . . . 0.0 111.021 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -74.04 123.15 23.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.976 0.911 . . . . 0.0 111.75 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.55 -47.48 19.64 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.868 1.667 . . . . 0.0 114.33 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -81.37 -15.75 54.33 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.4 m -80.22 143.77 33.48 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.089 -1.007 . . . . 0.0 110.766 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.504 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.92 152.25 35.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.46 -33.9 76.58 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.412 -0.805 . . . . 0.0 113.094 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -54.5 -27.52 38.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.071 1.348 . . . . 0.0 114.467 173.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -72.39 -17.36 61.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.935 1.294 . . . . 0.0 113.235 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -108.32 -3.73 18.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.032 1.733 . . . . 0.0 112.707 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt 50.64 32.07 6.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.922 2.489 . . . . 0.0 114.348 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.1 mt -58.13 143.44 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.809 1.644 . . . . 0.0 109.559 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -122.85 158.83 29.44 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.061 1.344 . . . . 0.0 111.458 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -71.96 -28.34 63.38 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.174 0.99 . . . . 0.0 113.563 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -81.38 -36.27 29.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.248 1.419 . . . . 0.0 112.638 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -68.64 173.09 5.43 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.417 1.487 . . . . 0.0 111.358 170.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -130.41 149.92 51.87 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.035 0.922 . . . . 0.0 113.284 171.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.21 163.57 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 127.608 2.363 . . . . 0.0 109.059 170.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.3 t -108.35 133.06 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.538 -0.726 . . . . 0.0 110.666 172.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.68 140.04 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.676 1.591 . . . . 0.0 109.978 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.2 ptm -138.55 156.81 47.16 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.436 1.094 . . . . 0.0 111.574 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.3 p -124.54 102.09 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.727 1.211 . . . . 0.0 109.9 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 p -76.07 147.07 38.92 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.469 0.708 . . . . 0.0 112.61 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? 35.12 72.46 0.72 Allowed Pre-proline 0 N--CA 1.482 1.128 0 C-N-CA 127.984 2.514 . . . . 0.0 114.093 -171.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.73 173.74 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.345 3.363 . . . . 0.0 114.966 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -68.54 -2.53 9.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.219 1.407 . . . . 0.0 114.097 169.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.82 177.42 8.05 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.443 2.297 . . . . 0.0 112.006 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.262 12.3 m 53.24 -7.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 130.817 3.647 . . . . 0.0 118.289 177.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.9 p -67.57 167.43 12.97 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.09 1.756 . . . . 0.0 113.161 170.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.6 p -69.62 162.24 68.68 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.911 1.285 . . . . 0.0 112.746 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -55.84 164.34 4.74 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.884 3.056 . . . . 0.0 114.912 174.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.44 163.34 50.2 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 126.258 1.823 . . . . 0.0 111.503 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -53.99 137.44 69.07 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.641 2.894 . . . . 0.0 113.81 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.56 88.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.879 0.872 . . . . 0.0 111.242 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 93.2 m -88.7 86.49 7.0 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.18 -13.18 16.09 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.508 1.523 . . . . 0.0 114.993 -169.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -54.81 -24.4 22.63 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.188 1.395 . . . . 0.0 113.674 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -71.97 -12.28 61.17 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -65.78 158.6 27.23 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.35 1.06 . . . . 0.0 112.883 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -65.68 162.32 18.74 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.9 1.28 . . . . 0.0 112.828 173.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -75.69 -3.38 34.32 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.369 1.468 . . . . 0.0 114.903 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -126.7 156.36 41.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.651 1.58 . . . . 0.0 111.804 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.1 m80 . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.237 1.815 . . . . 0.0 112.707 171.598 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 112.116 -0.394 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 20.7 m -64.89 -20.76 66.6 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -174.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -71.74 86.98 0.95 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.227 1.411 . . . . 0.0 111.282 173.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 60.6 ttm -55.35 110.41 0.69 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.577 1.951 . . . . 0.0 112.397 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 37.3 p -62.8 -34.55 77.51 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.91 1.284 . . . . 0.0 114.343 -173.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 16.3 tt -74.66 -15.85 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 124.508 1.123 . . . . 0.0 113.394 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 7.4 t -82.14 -165.51 1.02 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.346 1.458 . . . . 0.0 111.512 170.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -68.42 70.13 0.16 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.693 1.997 . . . . 0.0 112.462 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -64.1 -12.86 43.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.529 1.532 . . . . 0.0 114.51 177.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -75.25 -10.56 59.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.404 1.482 . . . . 0.0 114.592 -171.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -56.12 109.14 0.54 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.699 1.2 . . . . 0.0 111.713 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 132.84 -12.65 5.08 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.848 1.689 . . . . 0.0 114.526 -175.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 41.9 ptt85 -137.06 167.34 21.72 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.803 1.641 . . . . 0.0 112.702 172.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 53.5 p -79.98 -44.09 20.86 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.053 1.341 . . . . 0.0 112.794 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 81.34 2.59 90.56 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.597 1.57 . . . . 0.0 116.109 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.36 121.92 77.32 Favored Pre-proline 0 CA--C 1.553 1.074 0 CA-C-N 119.0 1.4 . . . . 0.0 111.145 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.77 171.2 1.59 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.034 3.156 . . . . 0.0 114.944 173.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -81.81 55.38 2.71 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 122.685 1.231 . . . . 0.0 108.908 168.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.9 mt 68.58 -12.3 0.37 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 130.821 3.648 . . . . 0.0 116.222 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 21.6 m -55.41 -57.72 10.72 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -170.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 17.5 m -100.57 -8.55 22.91 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -170.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 19.2 ptp -82.38 172.07 13.48 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 79.5 p -89.71 164.15 14.81 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.087 1.355 . . . . 0.0 111.994 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.78 -35.21 74.18 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.948 -1.095 . . . . 0.0 112.856 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.72 -37.26 83.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.089 0.956 . . . . 0.0 112.507 175.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -72.42 -37.71 68.55 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.676 0.79 . . . . 0.0 112.154 173.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -60.12 -45.33 93.35 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.97 0.804 . . . . 0.0 110.392 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.36 -52.48 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.551 1.54 . . . . 0.0 111.201 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.74 -33.85 73.55 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.682 1.128 . . . . 0.0 113.454 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -60.87 -48.33 82.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.959 0.904 . . . . 0.0 111.529 170.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.85 83.89 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.9 mtt -55.62 -52.31 64.24 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.334 1.054 . . . . 0.0 111.769 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.38 -43.58 88.52 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 62.4 mtm -63.61 -44.55 93.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.169 0.895 . . . . 0.0 111.952 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 25.0 p -64.97 -26.13 68.16 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.79 -36.03 79.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.043 0.937 . . . . 0.0 112.086 170.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.99 -34.53 64.23 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.116 0.966 . . . . 0.0 112.689 173.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -68.27 -25.55 74.58 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 123.467 0.556 . . . . 0.0 113.909 170.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -81.67 -84.7 0.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.897 2.079 . . . . 0.0 113.882 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -139.16 -6.75 1.39 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -169.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -66.95 155.16 39.26 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.995 -1.066 . . . . 0.0 111.103 177.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 74.47 2.65 64.14 Favored Glycine 0 CA--C 1.541 1.683 0 N-CA-C 115.911 1.124 . . . . 0.0 115.911 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -63.55 104.95 0.7 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.595 1.558 . . . . 0.0 111.781 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.42 167.35 16.77 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.854 1.261 . . . . 0.0 113.388 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.16 -26.7 67.88 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.763 1.225 . . . . 0.0 113.427 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 66.3 p -63.49 -12.31 30.87 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.453 1.501 . . . . 0.0 114.541 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -124.21 7.81 8.5 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.902 2.081 . . . . 0.0 113.534 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.819 1.648 . . . . 0.0 113.921 174.899 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 ttp . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.75 79.24 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.881 0.872 . . . . 0.0 111.329 -171.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.16 133.57 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.304 1.442 . . . . 0.0 109.7 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.3 m -80.02 135.77 36.44 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.787 -0.57 . . . . 0.0 109.818 169.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.86 149.59 30.38 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.101 1.76 . . . . 0.0 110.612 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -138.99 139.41 37.89 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.388 1.875 . . . . 0.0 111.314 173.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -102.51 166.53 10.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.334 1.453 . . . . 0.0 112.348 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 mt -72.07 -13.43 61.59 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 172.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -85.2 6.53 25.5 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.245 1.418 . . . . 0.0 111.09 169.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 61.64 27.14 16.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.004 2.522 . . . . 0.0 113.753 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.33 154.93 19.7 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.582 1.153 . . . . 0.0 110.043 171.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.5 p -136.42 146.08 46.01 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.911 0.884 . . . . 0.0 112.658 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -150.67 -169.26 3.34 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.917 2.087 . . . . 0.0 110.209 176.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.12 149.96 51.11 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.812 -1.18 . . . . 0.0 112.033 170.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mm -126.84 115.72 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.753 2.021 . . . . 0.0 109.029 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -74.52 102.0 4.36 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.95 0.5 . . . . 0.0 110.137 169.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.0 tp -118.44 148.05 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.782 1.633 . . . . 0.0 111.116 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -75.0 114.54 35.91 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.103 0.961 . . . . 0.0 111.385 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.45 -20.61 31.37 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.967 2.444 . . . . 0.0 113.914 -174.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.92 -20.37 61.08 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.739 1.215 . . . . 0.0 112.999 172.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -82.19 178.52 8.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.578 1.151 . . . . 0.0 111.644 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 47.1 p -94.49 173.43 7.62 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -173.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.415 HG21 ' HB3' ' A' ' 53' ' ' LEU . 55.0 t -59.85 -32.21 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.349 1.06 . . . . 0.0 111.641 172.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -59.97 -38.85 83.71 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.759 -1.213 . . . . 0.0 112.054 170.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.83 -35.76 81.59 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 174.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.61 -55.1 39.24 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.098 -1.001 . . . . 0.0 110.791 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -49.93 -44.38 50.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.07 0.948 . . . . 0.0 113.169 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.4 -53.83 32.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.255 1.822 . . . . 0.0 112.082 171.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -69.02 -34.54 75.4 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.499 -0.751 . . . . 0.0 112.897 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.03 -49.16 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 123.852 0.861 . . . . 0.0 110.757 170.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.73 -42.41 88.66 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.072 0.851 . . . . 0.0 111.227 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 t -58.73 -51.34 70.39 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.041 1.336 . . . . 0.0 112.253 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -70.13 -56.19 7.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.748 0.819 . . . . 0.0 113.13 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -84.32 -18.19 37.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.048 1.339 . . . . 0.0 113.66 -171.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.5 136.76 6.15 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.577 2.036 . . . . 0.0 113.079 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -58.46 -21.26 50.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.818 2.447 . . . . 0.0 114.604 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -63.26 -29.25 70.62 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.176 0.99 . . . . 0.0 112.928 170.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.46 -41.14 3.93 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.669 1.587 . . . . 0.0 112.749 -173.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -136.91 70.65 57.29 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 126.063 1.745 . . . . 0.0 111.676 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.72 144.49 49.07 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.728 2.285 . . . . 0.0 110.786 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.83 -45.67 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 125.017 1.327 . . . . 0.0 111.99 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.21 -23.54 67.11 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.66 -25.91 8.36 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.171 1.367 . . . . 0.0 114.18 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -66.02 135.81 55.18 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.415 1.086 . . . . 0.0 113.34 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -119.89 138.24 53.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.882 2.073 . . . . 0.0 106.953 168.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.15 121.83 39.66 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.195 1.798 . . . . 0.0 109.542 -171.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -129.66 128.71 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.922 1.289 . . . . 0.0 111.001 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -134.93 144.53 47.51 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.34 1.456 . . . . 0.0 110.841 173.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.49 33.11 3.75 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.96 10.58 86.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 127.119 2.295 . . . . 0.0 115.987 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -128.61 137.29 51.61 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.064 1.746 . . . . 0.0 112.165 -175.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -75.41 127.03 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.717 0.807 . . . . 0.0 110.642 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.415 ' HB3' HG21 ' A' ' 23' ' ' VAL . 35.1 mt -70.5 131.51 44.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.833 2.053 . . . . 0.0 111.77 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -72.43 119.45 16.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.41 1.084 . . . . 0.0 111.419 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -53.39 -37.68 62.68 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -174.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.03 -15.77 52.5 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.2 m -83.98 148.45 26.88 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.442 1.097 . . . . 0.0 111.081 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -78.19 156.05 30.03 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.04 -32.97 74.75 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.883 0.873 . . . . 0.0 113.315 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.96 -28.04 68.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.716 1.207 . . . . 0.0 113.779 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -67.77 -16.09 63.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.585 1.154 . . . . 0.0 113.172 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -109.31 -0.41 19.12 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.493 1.917 . . . . 0.0 112.526 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 49.52 33.4 5.69 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.824 2.449 . . . . 0.0 114.376 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.6 140.19 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.871 1.269 . . . . 0.0 109.733 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.73 159.03 23.67 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.93 1.292 . . . . 0.0 111.266 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.44 -34.24 76.81 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.123 0.969 . . . . 0.0 112.881 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -76.67 -33.63 58.26 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.985 1.314 . . . . 0.0 112.862 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -72.7 165.38 24.9 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.856 0.862 . . . . 0.0 110.747 171.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -114.64 149.25 36.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.723 0.809 . . . . 0.0 112.359 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.22 155.89 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 126.407 1.883 . . . . 0.0 108.3 169.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.6 t -107.76 121.59 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.353 0.597 . . . . 0.0 109.701 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.83 133.99 47.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 125.037 1.335 . . . . 0.0 109.641 172.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -133.92 163.86 28.58 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.689 1.196 . . . . 0.0 110.446 169.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.0 116.26 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.176 0.99 . . . . 0.0 109.378 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.4 p -74.27 165.81 24.53 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.539 -0.726 . . . . 0.0 112.478 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -67.27 156.26 88.65 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.183 0.993 . . . . 0.0 112.861 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -56.14 164.83 4.63 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.014 3.142 . . . . 0.0 115.978 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -78.38 -12.44 60.01 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.271 1.428 . . . . 0.0 114.519 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.57 177.47 8.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.613 1.965 . . . . 0.0 112.556 174.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.72 91.62 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.921 1.289 . . . . 0.0 110.005 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.3 p -99.29 0.91 44.02 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.513 1.525 . . . . 0.0 114.202 -176.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.2 p -77.7 159.9 75.71 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 126.353 1.861 . . . . 0.0 112.248 171.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.57 174.72 11.22 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.319 2.679 . . . . 0.0 112.455 173.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 157.57 46.15 Favored Pre-proline 0 CA--C 1.555 1.158 0 C-N-CA 124.099 0.96 . . . . 0.0 112.83 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -55.64 160.69 8.98 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.826 3.017 . . . . 0.0 114.703 175.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.46 1.48 7.95 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.397 1.479 . . . . 0.0 114.68 177.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.5 p -56.6 -28.89 61.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.599 1.56 . . . . 0.0 114.884 -174.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -64.49 -15.53 60.96 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 176.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -67.86 -24.9 65.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.456 1.103 . . . . 0.0 112.919 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -75.45 43.88 0.25 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.39 1.876 . . . . 0.0 112.424 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -43.26 -45.35 5.76 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.513 2.325 . . . . 0.0 115.094 -169.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -58.21 -27.7 64.15 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.929 1.292 . . . . 0.0 114.215 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -104.24 -32.79 8.94 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.999 1.719 . . . . 0.0 112.428 175.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -72.72 -36.24 67.75 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.208 1.403 . . . . 0.0 113.417 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--O 1.254 1.324 0 C-N-CA 124.973 1.309 . . . . 0.0 112.503 175.811 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 66.5 m -77.91 -15.12 59.26 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -67.07 159.11 29.47 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.553 1.141 . . . . 0.0 112.428 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 24.0 ptp -65.53 -20.93 66.54 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 14.9 t -151.76 166.65 30.69 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.909 1.684 . . . . 0.0 111.375 173.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 265' ' ' ILE . . . . . 0.443 HD13 ' H ' ' B' ' 265' ' ' ILE . 0.1 OUTLIER -115.62 -4.31 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.077 1.751 . . . . 0.0 112.938 171.498 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 32.7 t -70.83 143.0 51.25 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.964 0.906 . . . . 0.0 112.315 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -76.64 -17.51 59.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.329 1.052 . . . . 0.0 112.764 169.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 34.51 71.25 0.11 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 128.424 2.69 . . . . 0.0 113.58 -172.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -69.23 -14.84 63.19 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.413 1.085 . . . . 0.0 113.852 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 42.9 t80 37.96 -87.81 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 129.74 3.216 . . . . 0.0 115.539 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -94.94 -11.91 55.99 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.079 1.323 . . . . 0.0 115.665 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -60.56 -37.83 82.54 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 119.495 1.648 . . . . 0.0 112.842 -176.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 38.4 p -95.71 -3.62 45.64 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.716 2.007 . . . . 0.0 114.009 -176.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -78.2 171.38 55.13 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.697 1.141 . . . . 0.0 114.273 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.07 122.32 76.75 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.01 1.324 . . . . 0.0 110.826 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.68 170.36 19.26 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.503 2.802 . . . . 0.0 113.135 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -79.44 36.6 0.31 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.56 1.944 . . . . 0.0 111.932 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . 0.255 10.0 mp 72.65 0.07 3.5 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 129.943 3.297 . . . . 0.0 115.178 -176.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 67.7 m -59.91 -51.6 69.0 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 47.2 p -100.32 -0.69 37.9 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.843 1.657 . . . . 0.0 114.654 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 7.5 tpp -66.33 144.98 56.23 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.953 1.701 . . . . 0.0 112.738 -177.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 79.8 p -85.96 162.1 18.69 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.846 0.858 . . . . 0.0 110.821 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.99 -43.79 98.1 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.06 -1.025 . . . . 0.0 112.62 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.16 -34.76 78.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.44 -0.788 . . . . 0.0 112.673 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -70.84 -37.12 73.14 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.104 -0.997 . . . . 0.0 112.5 173.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -59.46 -46.2 89.46 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.478 1.036 . . . . 0.0 110.916 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.91 -55.36 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.993 1.317 . . . . 0.0 111.071 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.63 76.18 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.256 -0.902 . . . . 0.0 113.091 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -61.25 -45.74 93.28 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.464 -0.773 . . . . 0.0 111.631 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.02 90.09 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.082 0.953 . . . . 0.0 113.533 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.9 mtt -57.18 -60.58 3.4 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.931 1.292 . . . . 0.0 110.29 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -50.43 -43.52 54.95 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.261 1.024 . . . . 0.0 112.391 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 39.4 ttm -56.55 -57.24 13.21 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.375 1.07 . . . . 0.0 112.662 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 88.2 p -65.01 -36.77 85.48 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.6 -37.29 86.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.218 1.807 . . . . 0.0 112.422 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -61.24 -33.03 72.85 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.791 -1.193 . . . . 0.0 112.161 175.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -63.87 -16.35 59.26 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.6 1.095 . . . . 0.0 114.809 171.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -92.84 4.28 54.15 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.074 1.75 . . . . 0.0 113.92 173.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 101.04 2.14 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 130.326 3.45 . . . . 0.0 112.908 170.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -69.62 -179.71 1.84 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.04 1.336 . . . . 0.0 112.529 170.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -152.17 174.48 31.13 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.429 1.014 . . . . 0.0 114.114 174.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -75.86 167.47 21.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.938 1.695 . . . . 0.0 111.346 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -59.43 -25.38 64.3 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.811 -1.181 . . . . 0.0 113.92 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -79.85 -12.39 59.76 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.219 1.408 . . . . 0.0 114.24 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 87.9 p -134.15 -18.75 2.01 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -170.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -69.24 169.92 11.2 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.23 1.412 . . . . 0.0 113.632 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.252 1.19 0 C-N-CA 127.171 2.188 . . . . 0.0 112.323 175.67 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptm . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -98.24 86.89 3.76 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.035 0.934 . . . . 0.0 110.138 173.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.01 149.12 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.812 -0.555 . . . . 0.0 111.268 173.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.1 m -86.66 134.99 33.57 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 168.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.51 154.94 22.98 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.986 1.714 . . . . 0.0 110.502 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -138.08 125.41 21.79 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.152 1.781 . . . . 0.0 110.946 170.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p -82.63 162.93 21.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.898 0.879 . . . . 0.0 111.893 171.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' B' ' 290' ' ' ALA . 37.8 mt -65.8 -28.11 68.77 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.208 -0.933 . . . . 0.0 112.745 171.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -72.58 8.28 1.5 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.983 1.713 . . . . 0.0 113.448 169.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 71.22 22.53 4.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.875 2.47 . . . . 0.0 114.161 174.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -89.06 119.39 29.53 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.705 0.802 . . . . 0.0 109.833 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 p -109.21 120.56 42.9 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.368 1.067 . . . . 0.0 111.479 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -139.26 -173.29 3.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.308 2.243 . . . . 0.0 110.139 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -123.48 156.94 34.62 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.137 -0.977 . . . . 0.0 112.597 173.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -133.93 113.72 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.516 1.927 . . . . 0.0 109.821 175.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -81.18 102.87 10.59 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.743 1.217 . . . . 0.0 109.445 169.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.8 tp -127.0 154.03 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.576 1.95 . . . . 0.0 111.586 -174.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -79.43 118.57 73.17 Favored Pre-proline 0 CA--C 1.551 1.006 0 O-C-N 121.356 -0.84 . . . . 0.0 111.735 174.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -67.94 -26.65 37.53 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.214 2.609 . . . . 0.0 113.229 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.09 -19.32 60.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.477 1.511 . . . . 0.0 113.093 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -78.32 171.74 14.62 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.265 1.031 . . . . 0.0 111.556 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 62.5 p -93.75 169.21 10.48 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.39 -0.819 . . . . 0.0 112.989 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 53' ' ' LEU . 61.8 t -58.49 -29.91 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.675 1.19 . . . . 0.0 112.784 -175.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -62.6 -23.63 67.15 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.728 -1.233 . . . . 0.0 113.705 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.2 -35.39 59.09 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.168 0.895 . . . . 0.0 112.804 169.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -56.2 -52.6 63.81 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.488 -1.383 . . . . 0.0 109.287 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -50.98 -46.18 61.26 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.196 0.998 . . . . 0.0 113.551 169.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.94 -44.27 91.35 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.802 1.183 . . . . 0.0 112.813 178.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -69.27 -35.75 76.39 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.641 -0.662 . . . . 0.0 112.521 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.07 -46.34 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.898 0.879 . . . . 0.0 111.106 170.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.97 -42.73 85.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.758 0.823 . . . . 0.0 111.224 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 t -63.05 -47.59 82.31 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.475 1.11 . . . . 0.0 112.758 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -64.94 -58.95 4.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.541 1.537 . . . . 0.0 112.854 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -84.77 -15.47 44.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.358 1.463 . . . . 0.0 113.981 -172.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.37 143.04 5.72 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 126.844 2.164 . . . . 0.0 112.314 -171.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -69.5 -14.65 62.98 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -62.31 -41.77 98.81 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.351 0.66 . . . . 0.0 111.045 169.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.24 -48.08 10.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.493 1.117 . . . . 0.0 111.753 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -138.58 75.89 37.09 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.137 1.375 . . . . 0.0 112.349 -173.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.1 141.59 40.17 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.905 2.403 . . . . 0.0 110.086 174.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.7 t -51.43 -46.8 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.717 -1.24 . . . . 0.0 112.1 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -20.56 66.54 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.49 -20.95 10.27 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.431 1.491 . . . . 0.0 114.334 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -66.73 149.87 49.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.667 1.187 . . . . 0.0 113.547 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -136.95 146.12 45.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.047 2.139 . . . . 0.0 108.234 168.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.5 127.12 41.83 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.352 1.861 . . . . 0.0 109.505 -170.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.85 122.42 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.83 1.252 . . . . 0.0 110.58 -169.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -128.71 134.86 48.6 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.991 1.316 . . . . 0.0 111.808 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.91 27.16 4.1 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.589 1.155 . . . . 0.0 113.516 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.04 -9.53 24.88 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.869 2.176 . . . . 0.0 115.205 -172.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -83.23 118.63 23.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.733 1.613 . . . . 0.0 110.095 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mt -64.52 119.47 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 121.346 0.593 . . . . 0.0 110.236 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.483 ' HB3' HG21 ' A' ' 23' ' ' VAL . 28.9 mt -65.93 119.18 10.86 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.433 1.893 . . . . 0.0 110.667 178.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.2 126.3 29.26 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.348 0.659 . . . . 0.0 111.586 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.04 -47.36 22.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.024 1.73 . . . . 0.0 114.475 -175.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -87.99 -1.53 58.05 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.864 1.666 . . . . 0.0 114.258 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -92.41 148.44 22.11 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.836 1.254 . . . . 0.0 110.024 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -79.71 157.17 27.24 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -175.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.54 -29.15 69.16 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.16 -0.962 . . . . 0.0 113.206 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -59.77 -29.65 68.33 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.25 1.42 . . . . 0.0 113.701 173.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -66.86 -16.38 64.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.895 1.278 . . . . 0.0 113.979 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -115.43 1.46 13.68 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.83 1.652 . . . . 0.0 112.456 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 46.02 37.55 3.87 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.132 2.573 . . . . 0.0 114.365 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.8 mt -61.58 142.79 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 125.86 1.664 . . . . 0.0 110.072 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -125.2 155.97 39.19 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.068 1.347 . . . . 0.0 113.001 -173.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -74.64 -29.98 61.46 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.505 1.522 . . . . 0.0 113.974 -176.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.71 -32.66 62.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.24 1.016 . . . . 0.0 112.304 177.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -82.08 177.04 9.04 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.774 1.63 . . . . 0.0 111.35 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -119.66 162.6 18.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.103 1.361 . . . . 0.0 112.501 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.07 157.94 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.869 2.067 . . . . 0.0 109.35 171.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.1 t -107.48 127.51 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.741 -0.599 . . . . 0.0 110.232 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.7 p -112.69 141.4 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.328 1.451 . . . . 0.0 110.275 172.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.4 ptm -138.45 169.14 18.31 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.175 1.39 . . . . 0.0 111.509 173.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.81 128.19 56.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 125.51 1.524 . . . . 0.0 108.627 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.0 p -69.51 160.36 31.61 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.141 -0.974 . . . . 0.0 112.987 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 38.7 80.31 0.28 Allowed Pre-proline 0 N--CA 1.483 1.186 0 C-N-CA 128.326 2.651 . . . . 0.0 114.69 176.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.22 163.81 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.994 3.796 . . . . 0.0 116.559 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.71 1.77 3.0 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.469 1.908 . . . . 0.0 114.727 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.09 106.46 0.1 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.982 2.113 . . . . 0.0 113.993 -175.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.2 t -75.51 118.72 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.673 1.989 . . . . 0.0 111.934 -172.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.9 p -77.5 162.85 26.83 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.107 1.363 . . . . 0.0 113.206 170.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.9 p -73.01 153.75 90.84 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 124.656 1.182 . . . . 0.0 113.32 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -78.65 175.86 10.55 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 C-N-CA 123.806 3.004 . . . . 0.0 112.535 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -142.73 163.27 39.57 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.258 1.823 . . . . 0.0 110.568 171.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -55.95 -19.01 24.23 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.874 3.05 . . . . 0.0 116.909 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.87 -13.83 61.77 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.804 2.041 . . . . 0.0 114.407 173.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -137.89 -14.23 1.41 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.896 1.678 . . . . 0.0 114.095 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.7 139.48 38.91 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.378 1.871 . . . . 0.0 111.122 173.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -55.34 153.09 7.6 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.029 0.932 . . . . 0.0 113.299 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . 0.26 1.1 p-80 50.16 -11.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 130.652 3.581 . . . . 0.0 118.797 -174.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -66.11 -25.91 67.21 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.446 -1.409 . . . . 0.0 112.815 176.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -58.06 -27.77 63.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.282 1.433 . . . . 0.0 113.731 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -64.49 -4.32 3.89 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.977 1.711 . . . . 0.0 114.917 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -12.67 6.06 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 175.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.522 1.929 . . . . 0.0 111.711 -178.113 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 87.5 p -56.98 -27.37 61.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.637 1.575 . . . . 0.0 115.198 -174.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -74.78 -12.06 60.31 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.414 1.486 . . . . 0.0 113.389 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 11.2 tpt 43.69 49.16 6.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.718 2.407 . . . . 0.0 113.823 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 26.9 p -71.24 -34.43 70.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.693 1.197 . . . . 0.0 113.088 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 10.3 tp -80.9 151.64 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 C-N-CA 125.46 1.504 . . . . 0.0 111.799 173.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.0 p -150.7 169.94 20.4 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.315 1.446 . . . . 0.0 111.569 169.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -86.68 -3.72 59.08 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.354 1.062 . . . . 0.0 113.457 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -73.04 -12.53 60.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.263 1.425 . . . . 0.0 114.206 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.62 69.67 2.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.915 1.286 . . . . 0.0 111.222 173.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.94 166.35 13.71 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.823 1.649 . . . . 0.0 113.423 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -77.6 173.09 55.12 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.888 1.232 . . . . 0.0 114.975 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -67.06 157.58 33.19 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.805 1.642 . . . . 0.0 112.195 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 29.5 p -71.15 -20.45 62.3 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.843 1.657 . . . . 0.0 115.252 -177.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -178.95 -173.49 44.31 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 119.288 0.949 . . . . 0.0 114.78 -175.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.56 157.82 44.38 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 126.179 1.792 . . . . 0.0 113.345 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -72.62 167.95 25.76 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.45 2.766 . . . . 0.0 114.043 -178.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.32 47.82 0.72 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.323 1.849 . . . . 0.0 110.592 169.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 11.0 mp 60.6 -1.94 0.2 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 130.237 3.415 . . . . 0.0 116.669 -173.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 21.0 p -59.37 -54.77 42.89 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.95 1.7 . . . . 0.0 113.904 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 49.9 m -100.01 7.05 45.02 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.733 1.613 . . . . 0.0 113.635 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 25.1 tpp -71.4 135.21 47.15 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.725 1.61 . . . . 0.0 112.761 -175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 44.9 p -78.65 156.15 29.16 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.36 0.664 . . . . 0.0 109.764 169.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.57 -39.82 89.43 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.954 -1.091 . . . . 0.0 112.483 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -62.28 -42.44 99.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.606 1.162 . . . . 0.0 112.761 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.22 -34.82 71.17 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.366 -0.833 . . . . 0.0 112.101 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -60.91 -46.72 89.53 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.793 1.237 . . . . 0.0 111.269 172.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.37 -51.8 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.835 1.654 . . . . 0.0 111.238 170.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.53 -34.36 75.41 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.98 -1.075 . . . . 0.0 113.333 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -61.02 -43.38 98.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.227 1.011 . . . . 0.0 111.841 170.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 290' ' ' ALA . . . . . 0.424 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -59.73 -48.16 82.8 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.993 0.917 . . . . 0.0 112.61 171.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 50.6 mtt -53.59 -51.37 63.24 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.015 1.326 . . . . 0.0 112.112 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -55.32 -43.25 74.75 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.732 1.151 . . . . 0.0 113.404 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 75.3 mtm -66.23 -44.29 84.19 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.881 -0.512 . . . . 0.0 111.935 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 7.7 t -57.08 -40.68 77.38 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.025 1.33 . . . . 0.0 113.383 174.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.91 -36.84 70.64 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.537 2.335 . . . . 0.0 112.851 172.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -68.5 -26.57 65.52 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.116 -0.99 . . . . 0.0 113.175 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -74.94 -14.96 81.25 Favored Glycine 0 CA--C 1.539 1.585 0 O-C-N 121.511 -0.743 . . . . 0.0 113.4 169.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -100.58 -131.77 0.25 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.916 2.486 . . . . 0.0 111.452 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -85.2 17.82 2.86 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.436 2.295 . . . . 0.0 113.216 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 63.97 11.96 6.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.697 2.399 . . . . 0.0 114.859 -174.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 82.42 11.45 82.02 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.664 1.126 . . . . 0.0 115.698 173.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -56.79 -18.93 14.57 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.182 1.793 . . . . 0.0 115.327 -172.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -129.62 12.55 5.87 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.367 1.867 . . . . 0.0 113.541 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -109.67 -2.57 17.37 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 55.7 m -64.73 95.25 0.14 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.761 1.624 . . . . 0.0 113.805 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -77.55 -16.41 58.68 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.056 1.342 . . . . 0.0 114.505 176.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.254 1.316 0 C-N-CA 126.358 1.863 . . . . 0.0 114.401 -178.467 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 ttp . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 121.507 0.67 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -86.62 82.55 7.86 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.711 1.204 . . . . 0.0 111.611 -173.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -67.61 134.96 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.827 1.251 . . . . 0.0 109.759 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 m -80.04 132.43 35.99 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.457 -0.777 . . . . 0.0 109.846 169.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.18 148.29 28.06 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.164 1.385 . . . . 0.0 110.841 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -136.44 127.5 27.84 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.95 1.7 . . . . 0.0 111.385 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -87.53 164.38 16.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.298 1.439 . . . . 0.0 111.643 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.66 -19.38 63.61 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.921 -1.112 . . . . 0.0 113.518 171.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -76.0 5.45 6.58 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.815 1.246 . . . . 0.0 111.858 169.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 64.11 24.59 13.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.327 2.651 . . . . 0.0 113.692 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -88.93 151.69 22.17 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.123 0.969 . . . . 0.0 109.726 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.1 p -131.89 141.43 49.37 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.042 0.925 . . . . 0.0 112.832 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -146.69 -173.11 4.13 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.724 2.41 . . . . 0.0 109.626 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -134.27 157.98 44.92 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.872 -1.142 . . . . 0.0 111.578 169.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -135.07 115.46 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.592 1.957 . . . . 0.0 108.899 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -79.51 97.84 6.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.064 0.546 . . . . 0.0 110.355 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 18' ' ' ASP . 4.2 tp -113.59 148.32 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.669 1.988 . . . . 0.0 111.526 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' H ' HD12 ' A' ' 17' ' ' ILE . 15.6 t0 -77.97 116.34 57.78 Favored Pre-proline 0 CA--C 1.555 1.168 0 O-C-N 121.148 -0.97 . . . . 0.0 111.515 173.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.78 -13.74 24.34 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.745 2.963 . . . . 0.0 114.991 -175.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -84.44 -17.0 40.63 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.655 1.116 . . . . 0.0 112.54 174.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -74.47 168.31 19.99 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.092 0.949 . . . . 0.0 111.474 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.3 p -81.21 171.03 15.37 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.295 -0.878 . . . . 0.0 113.114 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.93 -28.66 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.565 1.146 . . . . 0.0 112.062 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -46.95 -47.93 21.62 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.341 0.973 . . . . 0.0 110.948 169.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.31 -34.65 77.81 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 tp -56.53 -55.7 30.56 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.517 -1.364 . . . . 0.0 109.775 169.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -56.0 -40.8 73.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.208 1.403 . . . . 0.0 114.091 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.8 -40.56 92.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.431 1.093 . . . . 0.0 112.551 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -38.8 86.74 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.272 0.629 . . . . 0.0 112.094 174.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.26 -48.95 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.756 0.822 . . . . 0.0 110.991 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.15 -43.04 82.13 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.472 0.709 . . . . 0.0 111.202 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.2 m -63.3 -46.96 84.31 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.814 1.245 . . . . 0.0 112.944 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -68.88 -57.81 5.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.018 1.327 . . . . 0.0 112.245 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -81.49 -16.88 50.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.714 1.206 . . . . 0.0 113.777 -172.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.7 143.38 7.64 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.66 2.076 . . . . 0.0 112.073 -171.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -68.52 -14.14 62.8 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.39 -42.03 98.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.498 -0.751 . . . . 0.0 111.092 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.06 -51.29 8.16 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.794 1.238 . . . . 0.0 112.091 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -138.26 70.3 47.54 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 125.113 1.365 . . . . 0.0 112.467 -171.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -67.74 138.01 43.75 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.174 2.583 . . . . 0.0 109.138 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -48.07 -44.99 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 CA-C-N 121.051 1.75 . . . . 0.0 113.465 -172.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.62 79.38 Favored 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.13 -35.89 47.69 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.915 1.245 . . . . 0.0 113.553 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -58.76 139.06 56.76 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.357 2.263 . . . . 0.0 110.993 172.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -130.24 154.53 47.49 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.593 1.557 . . . . 0.0 110.322 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.29 123.54 28.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.804 2.041 . . . . 0.0 110.736 -169.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.85 124.87 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.191 1.397 . . . . 0.0 110.408 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HB3' HD21 ' A' ' 53' ' ' LEU . 64.9 t80 -132.47 141.92 49.01 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.309 1.444 . . . . 0.0 111.91 175.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.45 25.26 1.29 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.36 1.464 . . . . 0.0 114.21 -173.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.45 13.86 82.78 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 126.117 1.818 . . . . 0.0 116.024 -174.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -122.17 141.76 51.11 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.193 1.497 . . . . 0.0 111.705 174.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.28 124.18 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 123.76 0.824 . . . . 0.0 110.583 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 48' ' ' TYR . 31.6 mt -68.4 119.07 12.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.648 1.579 . . . . 0.0 110.745 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -68.3 120.49 14.51 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.936 0.895 . . . . 0.0 110.689 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.28 -29.18 57.63 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -175.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -88.13 -18.61 28.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.741 1.216 . . . . 0.0 113.478 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.9 m -81.71 153.83 26.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.188 1.395 . . . . 0.0 110.92 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -81.0 156.46 25.9 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.879 -1.138 . . . . 0.0 113.871 -177.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.93 -34.9 79.51 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.767 0.827 . . . . 0.0 112.452 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -52.03 -33.63 39.49 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.642 1.977 . . . . 0.0 113.802 173.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.64 -18.29 64.91 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.993 1.317 . . . . 0.0 114.088 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.93 -3.12 14.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.241 1.416 . . . . 0.0 112.385 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 51.19 33.01 8.74 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.613 2.365 . . . . 0.0 114.355 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 64' ' ' ILE . 8.8 mt -58.45 144.28 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.535 1.534 . . . . 0.0 109.065 172.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -133.49 159.74 39.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.112 1.365 . . . . 0.0 111.238 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.19 -32.09 72.69 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.684 0.793 . . . . 0.0 113.004 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -70.33 -17.18 63.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.627 1.571 . . . . 0.0 113.953 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -103.96 165.82 10.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.12 1.368 . . . . 0.0 111.554 -175.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -108.4 159.75 16.42 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.22 1.008 . . . . 0.0 112.153 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.79 157.25 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 127.07 2.148 . . . . 0.0 108.701 170.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -108.68 129.81 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 122.845 0.458 . . . . 0.0 110.142 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -118.72 140.22 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.444 1.497 . . . . 0.0 110.905 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 ptm -141.81 171.67 13.75 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.751 1.62 . . . . 0.0 111.646 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.1 p -129.37 99.18 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.727 1.211 . . . . 0.0 110.254 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.7 p -70.06 137.91 51.63 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.52 1.128 . . . . 0.0 112.068 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -151.11 153.78 33.26 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 125.174 1.389 . . . . 0.0 111.771 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -57.62 168.49 3.08 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.807 3.005 . . . . 0.0 114.746 170.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HE3' ' O ' ' B' ' 281' ' ' MET . 74.4 mmtt -122.39 -2.59 8.98 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.185 1.794 . . . . 0.0 113.645 170.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 53.54 25.89 5.18 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.894 2.478 . . . . 0.0 115.916 177.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -130.38 -42.55 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 125.683 1.593 . . . . 0.0 113.286 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.3 m -134.91 -9.89 2.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.03 1.332 . . . . 0.0 114.183 -177.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -73.06 156.4 89.58 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 125.358 1.463 . . . . 0.0 112.408 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -73.81 177.55 7.96 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.529 2.819 . . . . 0.0 114.473 -171.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.99 165.93 3.01 Favored Pre-proline 0 CA--C 1.557 1.218 0 C-N-CA 126.509 1.924 . . . . 0.0 113.431 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.02 152.75 17.33 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 124.013 3.142 . . . . 0.0 115.175 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.88 -15.78 63.78 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.5 m -60.02 111.41 1.48 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.768 1.627 . . . . 0.0 110.868 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.81 -8.48 36.33 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.305 1.594 . . . . 0.0 115.305 -169.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -137.2 140.5 41.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.091 1.356 . . . . 0.0 112.046 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 33.01 53.1 0.36 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 129.286 3.034 . . . . 0.0 116.205 172.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -73.35 42.97 0.13 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.212 1.805 . . . . 0.0 114.13 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -54.02 -21.75 8.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.601 2.36 . . . . 0.0 115.045 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -58.87 -19.06 38.51 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.7 1.6 . . . . 0.0 113.875 172.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -60.1 -27.79 67.31 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.739 1.616 . . . . 0.0 114.546 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.55 1.54 . . . . 0.0 113.733 -173.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.512 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 43.3 m -139.88 167.53 21.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.398 1.479 . . . . 0.0 111.943 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -73.13 -15.26 61.48 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 21.9 mmt 43.25 66.93 0.71 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 128.075 2.55 . . . . 0.0 114.727 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 7.6 t -58.65 -22.98 58.23 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.14 -10.6 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 125.36 1.464 . . . . 0.0 114.727 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 69.7 m -77.71 61.84 2.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.326 1.45 . . . . 0.0 111.96 175.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.82 153.65 41.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.523 1.529 . . . . 0.0 112.507 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -68.85 158.51 34.33 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.039 1.336 . . . . 0.0 113.48 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -82.33 102.35 11.16 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.882 1.273 . . . . 0.0 110.089 169.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -72.94 -9.76 59.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.73 0.29 Allowed Glycine 0 CA--C 1.543 1.796 0 C-N-CA 126.942 2.211 . . . . 0.0 116.988 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -73.33 -6.14 44.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.682 2.393 . . . . 0.0 114.423 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 23.7 p -64.2 168.03 5.94 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.004 2.121 . . . . 0.0 113.979 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -138.56 -179.89 17.72 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.99 1.757 . . . . 0.0 113.595 178.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.96 159.68 74.6 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 124.993 1.317 . . . . 0.0 112.567 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -63.97 171.35 7.53 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.45 2.767 . . . . 0.0 114.625 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -80.18 50.77 1.29 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.737 1.615 . . . . 0.0 110.148 168.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 8.6 mp 64.27 8.11 3.95 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 129.138 2.975 . . . . 0.0 115.558 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 60.6 p -61.23 -58.36 8.62 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 90.0 p -100.73 -12.99 18.66 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -175.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 281' ' ' MET . . . . . 0.415 ' O ' ' HE3' ' A' ' 78' ' ' LYS . 71.3 mtm -63.26 141.25 58.84 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.143 0.883 . . . . 0.0 112.574 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 30.8 p -65.25 169.75 5.37 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.968 0.89 . . . . 0.0 112.201 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.14 -39.38 82.21 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.809 -1.182 . . . . 0.0 111.783 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.97 -41.39 82.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.503 1.121 . . . . 0.0 112.669 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -64.44 -42.47 95.96 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.385 -0.822 . . . . 0.0 112.074 174.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -60.98 -44.97 96.59 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.852 0.861 . . . . 0.0 112.11 172.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.01 -51.56 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.818 0.847 . . . . 0.0 111.139 170.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.13 74.52 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.983 -1.073 . . . . 0.0 113.492 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -62.92 -43.69 98.1 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.202 -0.936 . . . . 0.0 111.83 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.54 85.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.613 0.765 . . . . 0.0 112.232 172.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.3 mtt -56.86 -49.44 75.48 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.826 1.25 . . . . 0.0 111.857 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -58.41 -43.26 88.55 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.85 0.75 . . . . 0.0 112.665 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 54.8 mtm -63.53 -48.55 77.06 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.98 0.809 . . . . 0.0 111.63 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 11.3 t -56.2 -37.79 70.12 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.813 1.645 . . . . 0.0 114.19 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.18 -14.33 47.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.011 1.725 . . . . 0.0 114.17 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -68.35 -28.26 66.98 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.115 -0.99 . . . . 0.0 112.701 172.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -76.53 -16.75 80.48 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.224 0.916 . . . . 0.0 113.55 170.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -84.18 -73.94 0.4 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.483 1.513 . . . . 0.0 111.16 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -145.3 -20.38 0.48 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -173.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -77.72 -11.09 59.84 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -169.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -61.66 -22.42 61.78 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 119.418 1.008 . . . . 0.0 114.818 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -77.24 -14.03 59.83 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.328 1.451 . . . . 0.0 114.68 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . 56.69 -19.29 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 129.377 3.071 . . . . 0.0 117.86 -173.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.22 -12.48 20.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.94 1.696 . . . . 0.0 115.001 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 6.1 t -69.7 -13.76 62.46 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.601 1.16 . . . . 0.0 113.845 172.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -69.59 174.44 5.01 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.194 1.398 . . . . 0.0 113.769 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 31.9 t70 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 127.122 2.169 . . . . 0.0 112.63 178.272 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 ttp . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.34 78.41 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.635 1.174 . . . . 0.0 110.935 -171.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.3 134.4 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.9 1.28 . . . . 0.0 109.928 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.2 m -81.28 133.04 35.37 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.75 150.66 27.28 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.687 1.595 . . . . 0.0 110.513 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -138.78 139.73 38.36 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.726 1.611 . . . . 0.0 111.555 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 p -103.61 164.42 11.68 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.306 1.442 . . . . 0.0 112.221 -176.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' B' ' 290' ' ' ALA . 20.7 mt -69.84 -18.87 63.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 172.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -81.87 9.39 8.21 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.967 1.707 . . . . 0.0 112.677 169.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 65.49 22.39 11.84 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.296 2.238 . . . . 0.0 114.247 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -89.13 150.66 22.61 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.665 0.786 . . . . 0.0 109.668 174.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.7 p -132.85 138.06 46.92 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.804 0.842 . . . . 0.0 111.61 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -142.63 -175.86 4.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.814 2.046 . . . . 0.0 110.165 -173.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 151.22 52.08 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.199 -0.938 . . . . 0.0 111.777 169.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 mm -133.78 108.88 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 126.853 2.061 . . . . 0.0 108.996 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -77.93 95.86 4.88 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.968 0.507 . . . . 0.0 110.097 170.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -114.08 148.11 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.688 1.995 . . . . 0.0 110.723 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.91 120.72 82.91 Favored Pre-proline 0 CA--C 1.555 1.152 0 O-C-N 120.985 -1.072 . . . . 0.0 111.004 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.8 -14.33 17.41 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.264 2.643 . . . . 0.0 114.876 -172.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.07 -22.39 49.13 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.38 0.991 . . . . 0.0 111.25 169.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.2 179.12 3.49 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.017 1.727 . . . . 0.0 112.741 169.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 43.7 p -101.65 174.53 5.92 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -169.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 53' ' ' LEU . 61.7 t -63.02 -33.69 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.794 0.838 . . . . 0.0 111.2 172.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.45 -39.86 89.05 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.999 -1.063 . . . . 0.0 111.483 169.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.83 90.28 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 172.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.5 -55.47 28.78 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.652 -1.28 . . . . 0.0 110.78 169.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -50.82 -42.25 58.22 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.889 0.876 . . . . 0.0 113.345 170.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -49.84 75.53 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.44 1.096 . . . . 0.0 112.409 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -65.14 -37.57 87.85 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.7 0.8 . . . . 0.0 112.573 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.94 -49.38 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.33 0.968 . . . . 0.0 110.741 171.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.24 -43.97 92.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.808 0.843 . . . . 0.0 111.817 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -60.52 -52.99 62.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.564 1.546 . . . . 0.0 112.379 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -75.1 -49.87 18.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.938 1.295 . . . . 0.0 113.081 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -87.3 -17.45 32.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.713 1.205 . . . . 0.0 113.672 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.08 131.71 5.9 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.427 1.965 . . . . 0.0 113.316 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -56.94 -21.35 29.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.975 2.51 . . . . 0.0 114.523 173.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.29 -32.0 69.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.285 1.434 . . . . 0.0 112.846 169.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.02 -36.49 4.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.436 1.495 . . . . 0.0 113.019 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -136.5 71.32 59.38 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.614 1.566 . . . . 0.0 112.074 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.35 143.88 44.48 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.538 2.159 . . . . 0.0 110.535 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -51.08 -45.96 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 124.756 1.222 . . . . 0.0 111.993 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.6 -21.09 66.13 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.48 -24.93 9.04 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.981 1.277 . . . . 0.0 113.849 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -67.7 149.26 50.22 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.737 1.215 . . . . 0.0 113.557 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -136.25 144.93 45.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.448 2.299 . . . . 0.0 108.388 168.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.1 125.32 42.36 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.446 1.498 . . . . 0.0 110.428 -169.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mp -132.06 120.36 43.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.152 1.381 . . . . 0.0 110.216 -169.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -127.65 148.9 50.39 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.538 1.135 . . . . 0.0 111.328 170.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.69 31.36 2.99 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.848 1.259 . . . . 0.0 113.501 -174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.43 16.93 74.01 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.123 1.82 . . . . 0.0 116.244 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -128.28 143.29 51.01 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.584 1.692 . . . . 0.0 112.364 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -71.97 127.24 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 124.171 0.988 . . . . 0.0 110.444 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HB3' HG21 ' A' ' 23' ' ' VAL . 45.4 mt -76.54 137.51 39.63 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.534 1.533 . . . . 0.0 111.755 -177.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -73.54 120.54 19.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.362 1.065 . . . . 0.0 110.808 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -53.63 -38.42 64.04 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -80.17 -20.31 45.11 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.6 m -77.71 142.59 38.67 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.196 -0.94 . . . . 0.0 110.885 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -74.67 154.65 38.38 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 -177.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.54 -31.36 72.03 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.314 -0.866 . . . . 0.0 113.289 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -47.94 -40.94 23.56 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.194 1.797 . . . . 0.0 112.858 170.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.42 -19.52 65.82 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.615 1.566 . . . . 0.0 113.775 -174.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -107.73 -3.02 19.53 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.057 1.743 . . . . 0.0 112.958 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt 44.63 38.32 2.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.336 2.655 . . . . 0.0 115.401 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 54.7 mt -57.32 138.68 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.62 1.568 . . . . 0.0 109.74 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -106.83 157.0 18.08 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.581 1.152 . . . . 0.0 111.288 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -73.17 -33.41 65.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.721 0.808 . . . . 0.0 112.744 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.71 -34.82 34.24 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.823 1.649 . . . . 0.0 112.513 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -68.23 162.95 23.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.649 0.78 . . . . 0.0 109.877 169.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -117.18 140.91 48.94 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.646 0.736 . . . . 0.0 112.649 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.5 160.38 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.657 1.583 . . . . 0.0 109.039 170.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -110.46 122.27 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.394 0.616 . . . . 0.0 110.091 172.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -105.81 138.15 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 125.117 1.367 . . . . 0.0 109.573 170.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.6 ptm -132.49 159.89 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.529 1.132 . . . . 0.0 110.581 169.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.34 125.44 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 124.841 1.257 . . . . 0.0 109.065 176.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.1 p -70.6 155.83 40.23 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -172.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -77.92 -19.58 0.31 Allowed Pre-proline 0 CA--C 1.553 1.06 0 N-CA-C 119.482 3.142 . . . . 0.0 119.482 -171.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.56 159.31 8.81 Favored 'Trans proline' 0 C--N 1.356 0.94 0 CA-C-N 123.697 2.356 . . . . 0.0 116.673 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -125.14 6.93 7.86 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.916 2.086 . . . . 0.0 114.338 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 53.58 -155.4 0.22 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.691 1.596 . . . . 0.0 113.089 -173.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.61 -16.23 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 126.554 1.942 . . . . 0.0 115.557 -175.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.8 m -60.0 132.61 54.48 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.081 1.352 . . . . 0.0 112.913 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.3 p -67.3 161.86 60.52 Favored Pre-proline 0 N--CA 1.477 0.899 0 C-N-CA 123.849 0.86 . . . . 0.0 111.531 170.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.96 35.23 0.34 Allowed 'Trans proline' 0 CA--C 1.551 1.373 0 C-N-CA 124.289 3.326 . . . . 0.0 114.058 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.52 158.51 29.77 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 125.891 1.676 . . . . 0.0 112.091 170.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -74.32 80.53 2.21 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.827 3.018 . . . . 0.0 111.926 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 57.24 -15.39 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 130.078 3.351 . . . . 0.0 117.631 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.4 t -69.0 153.73 43.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.203 1.401 . . . . 0.0 113.425 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mp -84.27 -4.87 59.12 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.88 1.672 . . . . 0.0 112.606 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -74.51 66.39 1.38 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.13 1.372 . . . . 0.0 111.982 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -68.95 -13.64 62.56 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.804 1.641 . . . . 0.0 114.298 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 63.56 -26.75 0.07 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 129.691 3.197 . . . . 0.0 117.866 169.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -143.85 166.81 23.89 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.909 1.284 . . . . 0.0 113.692 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -78.58 173.66 12.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.631 1.572 . . . . 0.0 112.407 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -139.19 173.7 11.28 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.897 1.679 . . . . 0.0 112.059 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 70.9 t60 . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.216 1.406 . . . . 0.0 111.898 170.397 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 60.2 p -67.11 165.75 15.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.755 1.222 . . . . 0.0 113.374 175.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -147.24 171.13 15.88 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.882 1.673 . . . . 0.0 111.004 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 20.4 ttt 49.04 47.37 21.92 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.271 1.829 . . . . 0.0 113.251 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 18.2 p -76.58 52.08 0.78 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.447 2.299 . . . . 0.0 113.294 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -15.11 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.618 1.567 . . . . 0.0 114.68 -177.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 18.3 m -57.12 -16.45 7.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.368 1.867 . . . . 0.0 114.456 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -65.83 -17.72 64.84 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.09 1.756 . . . . 0.0 114.048 172.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -74.39 70.63 1.72 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.605 1.562 . . . . 0.0 112.304 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.94 -9.2 58.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.034 1.334 . . . . 0.0 114.3 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -67.14 160.37 26.94 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.982 1.713 . . . . 0.0 113.819 -172.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 167.25 178.65 39.68 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.546 1.546 . . . . 0.0 112.927 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -63.54 143.39 57.86 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.123 0.969 . . . . 0.0 112.306 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 42.1 p -112.52 -19.79 11.98 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.421 1.488 . . . . 0.0 113.502 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 155.94 170.91 21.79 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.313 1.911 . . . . 0.0 112.682 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.95 127.86 80.58 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 124.676 1.19 . . . . 0.0 110.083 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.98 173.3 1.84 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.628 2.885 . . . . 0.0 115.107 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.31 51.22 1.17 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.152 1.381 . . . . 0.0 109.536 168.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 10.4 mp 57.91 1.47 0.14 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 129.773 3.229 . . . . 0.0 115.969 -169.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 25.5 t -52.22 -60.26 3.42 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.077 1.751 . . . . 0.0 114.614 -171.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 70.7 p -100.31 -7.02 24.99 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 59.3 mtm -64.88 129.78 41.02 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.028 0.931 . . . . 0.0 112.746 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 48.1 p -64.36 172.43 2.55 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.676 0.79 . . . . 0.0 111.704 169.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -56.78 -41.06 77.01 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.092 -1.005 . . . . 0.0 111.907 172.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -68.32 -38.15 81.29 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.791 0.836 . . . . 0.0 112.982 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -67.66 -40.62 84.49 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.946 -1.096 . . . . 0.0 112.248 173.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.24 -43.54 95.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.4 1.08 . . . . 0.0 111.888 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 40.3 mt -55.93 -53.4 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.172 0.989 . . . . 0.0 110.72 169.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.79 -35.03 75.44 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.648 1.113 . . . . 0.0 113.236 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -59.68 -47.6 85.0 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.366 1.067 . . . . 0.0 111.283 170.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 290' ' ' ALA . . . . . 0.425 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -60.15 -41.71 93.33 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.235 1.014 . . . . 0.0 113.242 172.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.5 mtt -60.1 -52.84 63.64 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.142 1.377 . . . . 0.0 111.954 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -54.6 -48.37 72.27 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.748 0.819 . . . . 0.0 111.859 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 27.8 ttm -56.82 -49.23 76.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.206 1.002 . . . . 0.0 111.638 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 37.0 t -61.18 -41.34 96.61 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.994 2.118 . . . . 0.0 114.985 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 79.7 mt -51.83 -43.7 63.26 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.245 0.929 . . . . 0.0 111.09 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -75.03 -45.32 42.52 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.469 1.108 . . . . 0.0 112.825 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -61.68 -26.21 66.5 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.821 0.725 . . . . 0.0 114.847 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -75.16 -81.33 0.08 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.418 1.887 . . . . 0.0 112.239 169.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -152.52 18.0 0.62 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -169.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 56.88 48.94 15.0 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.755 1.622 . . . . 0.0 111.879 -169.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 170.95 174.33 38.72 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.83 1.681 . . . . 0.0 113.184 177.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -77.08 174.21 10.93 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.975 1.31 . . . . 0.0 111.164 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.23 7.78 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -137.09 -55.57 0.71 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.849 1.66 . . . . 0.0 111.146 171.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 49.9 m -71.48 87.44 0.88 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.189 1.395 . . . . 0.0 112.519 175.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -136.61 171.79 13.97 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.841 1.657 . . . . 0.0 112.439 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 36.1 t70 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.054 1.742 . . . . 0.0 114.131 177.582 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 ttp . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -92.29 78.66 5.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 124.439 1.095 . . . . 0.0 111.264 -170.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.54 131.31 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.006 1.322 . . . . 0.0 109.489 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.7 m -79.9 133.71 36.25 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 169.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.1 148.54 27.69 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.986 1.314 . . . . 0.0 110.604 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -137.65 140.18 40.71 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.1 1.76 . . . . 0.0 111.148 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 p -103.55 167.91 9.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.775 1.23 . . . . 0.0 112.29 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' B' ' 290' ' ' ALA . 38.7 mt -66.39 -26.82 67.43 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 172.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -75.66 3.56 9.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.118 1.367 . . . . 0.0 112.65 169.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 59.55 33.12 22.03 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.607 2.363 . . . . 0.0 114.085 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -89.05 153.31 21.1 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.633 0.773 . . . . 0.0 109.115 169.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 p -136.06 139.97 43.45 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.353 0.661 . . . . 0.0 112.777 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -143.61 -175.46 4.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.35 2.26 . . . . 0.0 109.916 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -131.71 153.91 49.55 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.999 -1.063 . . . . 0.0 111.83 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.5 mm -133.81 109.36 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 126.771 2.028 . . . . 0.0 108.899 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -78.64 95.21 5.2 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.795 169.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -114.16 148.98 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.599 1.96 . . . . 0.0 111.228 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -75.26 114.22 33.3 Favored Pre-proline 0 CA--C 1.55 0.973 0 O-C-N 121.243 -0.911 . . . . 0.0 111.808 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -69.44 -13.02 34.8 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.362 2.708 . . . . 0.0 112.812 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.36 -21.01 66.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.039 1.736 . . . . 0.0 112.705 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -97.99 175.53 6.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.687 1.595 . . . . 0.0 112.775 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 64.0 p -86.33 172.38 10.48 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.046 0.938 . . . . 0.0 113.389 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.56 -31.15 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.248 1.019 . . . . 0.0 111.95 174.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -56.12 -35.11 66.73 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.897 -1.127 . . . . 0.0 112.755 170.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.17 -37.17 72.19 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.92 0.782 . . . . 0.0 112.747 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 tp -56.01 -53.12 60.76 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.758 -1.214 . . . . 0.0 110.19 169.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -51.26 -44.59 61.82 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.627 1.171 . . . . 0.0 113.078 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -49.22 77.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.952 0.901 . . . . 0.0 112.376 174.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -61.65 -39.94 93.14 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.9 mt -62.25 -48.05 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.204 0.911 . . . . 0.0 110.342 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.94 -43.26 95.1 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.501 0.591 . . . . 0.0 111.815 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 t -58.01 -48.82 78.91 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.461 1.504 . . . . 0.0 112.412 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -73.78 -50.53 20.13 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.027 1.331 . . . . 0.0 112.965 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -89.5 -16.47 30.68 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.803 1.241 . . . . 0.0 114.088 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.14 156.04 25.42 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 126.461 1.981 . . . . 0.0 113.148 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.51 -26.4 68.69 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.805 1.242 . . . . 0.0 113.219 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -65.33 -41.98 93.42 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.81 1.244 . . . . 0.0 112.329 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.14 -54.16 5.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.541 1.136 . . . . 0.0 112.022 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -141.01 82.5 14.91 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 124.95 1.3 . . . . 0.0 111.804 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.68 151.71 64.0 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.323 2.015 . . . . 0.0 110.009 170.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.6 t -57.84 -45.47 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 120.26 -1.525 . . . . 0.0 111.264 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.37 -18.02 63.74 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.93 -22.24 6.36 Favored Glycine 0 N--CA 1.475 1.254 0 C-N-CA 125.076 1.322 . . . . 0.0 115.014 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -80.04 151.87 29.69 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 118.729 1.264 . . . . 0.0 112.507 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -127.77 150.45 49.8 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.384 1.874 . . . . 0.0 110.027 169.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -123.17 124.07 42.22 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.657 1.983 . . . . 0.0 110.507 -169.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.28 126.19 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.162 1.385 . . . . 0.0 110.41 -171.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -132.38 143.57 49.93 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.74 1.216 . . . . 0.0 111.498 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 46.97 35.47 3.34 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.682 1.193 . . . . 0.0 114.206 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.27 12.27 84.32 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.915 2.198 . . . . 0.0 116.147 -177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -128.75 133.37 48.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.238 1.815 . . . . 0.0 111.725 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -68.72 128.06 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.582 0.753 . . . . 0.0 110.721 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.0 mt -72.25 125.5 27.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.999 1.72 . . . . 0.0 111.272 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -68.67 118.9 12.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.989 0.916 . . . . 0.0 110.34 172.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.47 -33.51 63.73 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.41 -17.31 42.64 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.301 1.04 . . . . 0.0 113.546 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.1 m -82.73 151.5 26.16 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.88 1.272 . . . . 0.0 111.02 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.87 157.93 32.71 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.51 -35.39 80.72 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.864 0.866 . . . . 0.0 112.976 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -61.06 -27.88 68.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.299 1.44 . . . . 0.0 113.887 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -64.91 -18.01 64.84 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.846 1.259 . . . . 0.0 113.947 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.32 0.64 15.76 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.624 1.57 . . . . 0.0 112.367 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp 45.57 42.29 7.92 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.902 2.481 . . . . 0.0 113.427 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.0 mt -58.54 129.93 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.129 1.372 . . . . 0.0 110.174 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -99.46 157.27 16.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.237 1.015 . . . . 0.0 111.614 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -76.45 -38.46 55.39 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.835 0.854 . . . . 0.0 112.812 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -78.74 -34.35 45.87 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.155 1.382 . . . . 0.0 112.394 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -74.3 169.76 16.98 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.825 0.45 . . . . 0.0 110.078 169.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -118.76 143.88 46.62 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -92.43 154.8 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.662 1.585 . . . . 0.0 107.4 168.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.2 t -106.89 132.05 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.727 -0.608 . . . . 0.0 109.824 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.49 136.7 53.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 125.34 1.456 . . . . 0.0 109.838 171.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -132.1 162.03 31.83 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.956 1.302 . . . . 0.0 111.133 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.467 0.382 0 C-N-CA 125.329 1.451 . . . . 0.0 109.419 176.504 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 CA--C 1.544 0.718 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.54 -42.15 98.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.625 1.17 . . . . 0.0 112.929 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.51 -40.19 77.11 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.174 -0.953 . . . . 0.0 112.586 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.26 -44.14 95.54 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.025 0.93 . . . . 0.0 111.277 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 52.7 mt -56.72 -52.98 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.671 1.188 . . . . 0.0 111.386 170.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.49 -34.43 74.05 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.864 1.211 . . . . 0.0 113.243 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.51 -45.7 91.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.206 1.002 . . . . 0.0 111.553 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . 0.429 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -56.26 -46.09 79.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.102 0.961 . . . . 0.0 112.912 171.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.1 mtt -56.02 -58.56 7.41 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 125.596 1.559 . . . . 0.0 111.007 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -52.17 -42.69 63.65 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.74 0.816 . . . . 0.0 112.915 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 74.0 mtm -59.72 -56.6 19.85 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.211 0.914 . . . . 0.0 112.414 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 179.355 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttp . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -96.21 83.11 3.54 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.379 1.072 . . . . 0.0 110.5 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.17 136.03 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.358 1.463 . . . . 0.0 110.186 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.9 m -82.39 132.65 35.21 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.768 -0.583 . . . . 0.0 109.486 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.71 149.54 28.02 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.586 1.554 . . . . 0.0 111.011 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -138.03 136.73 37.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.113 1.765 . . . . 0.0 111.296 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 p -99.4 164.63 12.03 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.264 1.426 . . . . 0.0 111.696 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -68.09 -15.74 63.72 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.63 6.28 15.58 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.737 1.215 . . . . 0.0 111.889 169.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 62.57 23.49 13.96 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 128.07 2.548 . . . . 0.0 113.984 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -86.52 152.71 22.41 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.746 0.818 . . . . 0.0 109.566 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -132.45 144.8 50.73 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.015 0.912 . . . . 0.0 112.957 -177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -146.05 -174.98 4.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.825 2.45 . . . . 0.0 109.864 -172.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 153.39 50.31 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.825 -1.172 . . . . 0.0 112.133 169.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mm -135.74 113.39 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 126.385 1.874 . . . . 0.0 109.84 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -75.77 97.96 4.0 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.091 1.756 . . . . 0.0 110.558 169.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.7 tp -124.28 151.68 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.943 1.697 . . . . 0.0 111.884 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.26 114.72 49.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 O-C-N 121.282 -0.886 . . . . 0.0 111.351 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -72.68 -16.55 26.7 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.123 2.549 . . . . 0.0 114.185 -172.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -75.41 -18.98 59.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.966 1.306 . . . . 0.0 112.905 171.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.78 172.09 14.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.188 0.995 . . . . 0.0 111.695 171.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 29.9 p -89.74 173.86 8.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 122.564 1.173 . . . . 0.0 113.502 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 53' ' ' LEU . 76.9 t -56.12 -29.51 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.503 1.521 . . . . 0.0 112.497 175.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -57.62 -37.66 73.66 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.37 1.068 . . . . 0.0 112.238 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.55 66.68 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.792 0.837 . . . . 0.0 112.956 174.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.38 -55.23 33.95 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.553 -1.342 . . . . 0.0 110.376 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -51.01 -44.24 60.97 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.818 1.247 . . . . 0.0 113.491 170.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -47.17 83.17 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.414 1.006 . . . . 0.0 112.411 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.14 -36.92 77.97 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.429 0.691 . . . . 0.0 112.623 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.3 mt -59.54 -51.27 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.005 0.922 . . . . 0.0 110.806 170.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.03 -46.52 88.0 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.453 0.701 . . . . 0.0 111.619 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.3 t -57.44 -46.0 84.08 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.74 1.216 . . . . 0.0 112.754 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.48 -56.33 7.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.54 1.136 . . . . 0.0 112.749 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.22 -18.35 30.51 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.47 154.63 30.89 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.872 2.177 . . . . 0.0 113.24 -175.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.18 -30.23 70.66 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.704 1.202 . . . . 0.0 113.646 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.49 -34.2 76.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.788 0.722 . . . . 0.0 112.692 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.17 -56.33 4.66 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.824 0.85 . . . . 0.0 111.609 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -142.77 81.03 13.53 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.041 1.337 . . . . 0.0 111.946 -171.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.54 139.55 25.72 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 123.132 2.555 . . . . 0.0 110.683 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.7 t -50.11 -48.88 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.305 1.042 . . . . 0.0 112.349 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.05 -18.16 63.98 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.83 -19.63 12.86 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.489 1.518 . . . . 0.0 114.271 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -68.79 149.3 49.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.532 1.133 . . . . 0.0 113.257 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -134.92 146.29 49.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.231 2.213 . . . . 0.0 108.114 167.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.1 124.54 39.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.81 1.644 . . . . 0.0 110.282 -169.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -132.61 127.14 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.193 1.397 . . . . 0.0 110.868 -169.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -132.63 143.55 49.75 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.813 1.245 . . . . 0.0 111.124 172.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.97 27.21 3.09 Favored 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.6 32.41 74.72 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.918 1.723 . . . . 0.0 114.665 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -134.21 129.46 35.77 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.422 2.289 . . . . 0.0 110.87 170.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -69.4 125.3 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.617 -0.677 . . . . 0.0 110.35 172.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' HB3' HG21 ' A' ' 23' ' ' VAL . 29.3 mt -72.2 129.2 37.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.656 1.582 . . . . 0.0 110.946 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -78.3 131.16 36.94 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.61 -18.91 22.49 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.53 1.932 . . . . 0.0 115.583 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -111.18 3.41 18.46 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.677 1.591 . . . . 0.0 113.213 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -107.98 140.9 40.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.948 1.699 . . . . 0.0 110.072 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.94 155.71 38.38 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.49 -29.66 70.34 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.205 -0.935 . . . . 0.0 112.833 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -48.92 -38.56 23.15 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.585 1.954 . . . . 0.0 113.193 169.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -67.45 -15.02 63.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.76 1.624 . . . . 0.0 114.493 -173.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -115.8 0.55 13.19 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.782 1.633 . . . . 0.0 112.561 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 45.05 41.23 5.29 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.975 2.51 . . . . 0.0 113.812 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.56 134.86 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.44 1.496 . . . . 0.0 109.631 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.27 156.0 17.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.164 0.986 . . . . 0.0 111.168 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -70.73 -34.3 71.75 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.887 0.875 . . . . 0.0 112.59 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -79.04 -35.43 42.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.952 1.701 . . . . 0.0 112.58 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -71.14 163.1 28.29 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.632 0.773 . . . . 0.0 110.004 170.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -111.79 144.46 41.05 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.681 0.753 . . . . 0.0 112.698 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.69 157.29 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 126.134 1.773 . . . . 0.0 108.497 169.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.2 t -106.91 123.96 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.644 -0.66 . . . . 0.0 110.445 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.61 136.82 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.269 1.427 . . . . 0.0 109.608 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.8 ptm -135.63 163.05 31.03 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.679 1.191 . . . . 0.0 111.127 171.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.467 0.4 0 C-N-CA 125.219 1.408 . . . . 0.0 109.326 179.581 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -63.57 -43.43 97.03 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.956 1.302 . . . . 0.0 112.66 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.19 -38.04 78.45 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.148 -0.97 . . . . 0.0 112.698 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -60.2 -44.68 94.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.043 0.937 . . . . 0.0 111.256 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 56.1 mt -58.57 -51.29 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.27 1.028 . . . . 0.0 111.176 171.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -56.23 -39.37 72.42 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.503 1.047 . . . . 0.0 112.823 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.94 -47.39 83.43 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.573 0.749 . . . . 0.0 112.292 169.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.01 75.43 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 9.3 mmt -55.9 -56.7 17.52 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.994 1.318 . . . . 0.0 111.085 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -58.89 -41.46 87.18 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.739 0.816 . . . . 0.0 112.494 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 35.7 ttp -65.35 -44.72 86.8 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.661 -0.649 . . . . 0.0 111.752 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 175.304 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 ttp . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.579 0.704 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -86.31 78.06 9.38 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.956 1.302 . . . . 0.0 111.179 -173.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.94 130.65 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.024 0.929 . . . . 0.0 109.215 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.6 m -79.89 134.83 36.32 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 169.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.05 152.17 26.28 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.562 1.545 . . . . 0.0 111.163 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -139.35 139.16 37.16 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.103 1.761 . . . . 0.0 111.475 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 p -100.63 167.9 10.04 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.997 1.319 . . . . 0.0 112.364 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.0 mt -67.72 -26.68 66.27 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.194 -0.941 . . . . 0.0 113.083 169.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -74.62 4.42 6.21 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.184 0.994 . . . . 0.0 111.925 169.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 66.43 23.05 10.64 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.5 2.32 . . . . 0.0 113.522 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -89.21 158.88 17.71 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.347 1.459 . . . . 0.0 110.195 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.8 p -138.76 146.91 41.99 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.68 0.792 . . . . 0.0 112.87 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -150.51 -171.62 3.97 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.384 2.273 . . . . 0.0 110.09 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -127.63 155.16 44.32 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.917 -1.114 . . . . 0.0 112.516 169.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.4 mm -132.25 107.94 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 127.332 2.253 . . . . 0.0 108.606 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -75.37 100.7 4.51 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.37 169.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tp -120.61 150.33 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.396 1.879 . . . . 0.0 110.773 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -72.5 118.1 64.74 Favored Pre-proline 0 CA--C 1.552 1.032 0 O-C-N 121.075 -1.015 . . . . 0.0 110.77 174.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.84 -14.06 26.71 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.893 2.395 . . . . 0.0 114.603 -172.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -87.94 -13.38 41.98 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.167 -0.958 . . . . 0.0 112.44 173.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -79.67 175.23 10.8 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 122.112 0.958 . . . . 0.0 110.308 168.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 30.1 p -93.98 173.88 7.44 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -170.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' A' ' 53' ' ' LEU . 81.5 t -61.42 -31.83 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.886 0.874 . . . . 0.0 111.385 174.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -60.6 -36.78 79.41 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.987 -1.071 . . . . 0.0 112.403 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -37.81 82.49 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 118.744 0.702 . . . . 0.0 112.773 172.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.64 -54.75 42.43 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.943 -1.098 . . . . 0.0 110.96 169.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.57 -42.92 45.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.576 1.15 . . . . 0.0 113.231 171.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -54.59 29.46 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.7 1.6 . . . . 0.0 112.363 171.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -68.85 -34.48 75.54 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.626 -0.671 . . . . 0.0 112.491 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.27 -50.06 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.27 1.028 . . . . 0.0 110.858 169.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.94 -43.76 86.55 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.819 0.848 . . . . 0.0 111.293 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -61.3 -49.1 78.4 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.871 1.269 . . . . 0.0 112.714 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -66.61 -58.54 4.95 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.866 1.266 . . . . 0.0 112.713 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -85.03 -14.97 45.67 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.935 1.294 . . . . 0.0 114.011 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.91 140.25 6.75 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.639 2.066 . . . . 0.0 112.273 -174.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -25.07 66.85 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.348 1.059 . . . . 0.0 113.479 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.1 -31.43 72.29 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.726 1.61 . . . . 0.0 111.905 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.59 -49.14 6.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.796 1.239 . . . . 0.0 111.837 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.63 79.16 35.52 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.825 1.65 . . . . 0.0 111.845 -173.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.58 143.88 39.0 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.821 2.348 . . . . 0.0 110.095 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.9 t -51.34 -44.03 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 120.752 -1.218 . . . . 0.0 110.769 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -0.53 3.89 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.02 1.728 . . . . 0.0 115.59 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.59 -19.96 1.14 Allowed Glycine 0 N--CA 1.477 1.399 0 C-N-CA 125.317 1.437 . . . . 0.0 115.073 174.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -63.43 146.92 52.61 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.56 1.18 . . . . 0.0 114.162 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -133.44 144.03 49.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.298 2.239 . . . . 0.0 108.692 168.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -125.35 124.27 41.18 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 126.667 1.987 . . . . 0.0 110.001 -169.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -131.8 126.8 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.084 1.353 . . . . 0.0 110.456 -171.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -132.72 139.7 47.75 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.072 1.349 . . . . 0.0 111.303 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.35 26.9 3.31 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.32 17.55 77.76 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 126.502 2.001 . . . . 0.0 115.346 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -127.04 128.17 45.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.738 2.015 . . . . 0.0 110.943 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mt -69.29 124.6 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.614 0.766 . . . . 0.0 110.165 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' HB3' HG21 ' A' ' 23' ' ' VAL . 32.3 mt -68.67 128.34 36.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.921 1.688 . . . . 0.0 111.461 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -70.58 122.19 19.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.11 1.364 . . . . 0.0 111.999 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -49.05 -42.63 39.09 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.913 1.685 . . . . 0.0 114.865 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -89.53 -12.82 38.85 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.561 1.545 . . . . 0.0 113.84 -175.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.3 m -82.57 143.51 30.99 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.471 1.109 . . . . 0.0 110.606 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.91 152.24 35.43 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.97 -36.9 85.03 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.323 -0.861 . . . . 0.0 112.884 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -54.11 -26.29 26.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.638 1.575 . . . . 0.0 114.612 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -70.42 -22.5 62.72 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.22 1.008 . . . . 0.0 113.025 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -100.96 -3.12 30.13 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.232 1.813 . . . . 0.0 112.56 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mptt 47.5 36.94 5.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 128.09 2.556 . . . . 0.0 113.767 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 mt -58.79 139.15 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.21 1.404 . . . . 0.0 109.16 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -108.93 161.62 14.97 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.814 1.246 . . . . 0.0 111.032 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.88 -38.0 82.5 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.164 -0.96 . . . . 0.0 112.852 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -75.63 -36.04 60.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.223 1.409 . . . . 0.0 113.122 -177.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -70.78 158.97 35.4 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.686 1.194 . . . . 0.0 110.733 171.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -117.07 139.96 50.07 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.62 158.97 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 126.272 1.829 . . . . 0.0 108.717 169.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.6 t -110.67 132.38 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 122.988 0.515 . . . . 0.0 110.228 172.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -114.61 137.48 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 125.646 1.578 . . . . 0.0 110.292 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.1 ptm -135.72 168.94 18.35 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.186 1.394 . . . . 0.0 111.372 170.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 CA--C 1.535 0.365 0 C-N-CA 124.949 1.3 . . . . 0.0 110.137 -179.633 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.96 -36.9 85.02 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.737 0.815 . . . . 0.0 112.792 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.3 -31.82 54.95 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.354 -0.841 . . . . 0.0 112.291 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -61.14 -46.06 92.12 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.251 0.932 . . . . 0.0 110.463 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.44 -52.85 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.887 1.275 . . . . 0.0 110.74 171.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.05 76.5 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.887 1.221 . . . . 0.0 113.669 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -61.97 -46.23 90.16 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.541 1.136 . . . . 0.0 111.591 169.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.49 83.12 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.354 -0.841 . . . . 0.0 113.218 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 47.5 mtt -57.57 -51.3 70.05 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.277 1.031 . . . . 0.0 111.686 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -56.4 -44.54 80.37 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.052 0.941 . . . . 0.0 112.794 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.51 -48.81 76.05 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.839 0.745 . . . . 0.0 111.656 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -178.796 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 mtp . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -85.98 78.52 9.44 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.391 -0.818 . . . . 0.0 109.367 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.98 135.24 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.746 1.618 . . . . 0.0 109.847 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.2 m -82.37 134.87 35.26 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.611 -0.681 . . . . 0.0 110.082 169.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.93 151.16 27.43 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.206 1.803 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -137.95 126.62 23.69 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.241 1.817 . . . . 0.0 111.204 172.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 p -84.86 168.14 15.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.057 1.343 . . . . 0.0 112.156 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' B' ' 290' ' ' ALA . 34.3 mt -68.82 -23.88 64.32 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.06 -1.025 . . . . 0.0 113.572 171.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -77.92 6.42 7.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.007 0.923 . . . . 0.0 112.203 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 58.64 32.97 22.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.444 2.698 . . . . 0.0 114.356 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -88.98 149.38 23.3 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 169.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 p -129.85 139.58 51.17 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.932 0.872 . . . . 0.0 112.498 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -144.33 -179.62 6.65 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.152 2.181 . . . . 0.0 110.089 -173.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.45 149.35 50.61 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.146 -0.971 . . . . 0.0 111.424 169.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.2 mm -129.43 113.44 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.712 2.005 . . . . 0.0 109.286 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -77.44 97.2 4.89 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.783 1.233 . . . . 0.0 110.094 170.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -120.45 145.71 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 127.101 2.161 . . . . 0.0 111.293 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.72 121.8 68.7 Favored Pre-proline 0 CA--C 1.548 0.877 0 O-C-N 121.391 -0.818 . . . . 0.0 110.25 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.99 -27.96 80.11 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.475 2.783 . . . . 0.0 114.269 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -74.08 -17.84 60.9 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.199 1.8 . . . . 0.0 114.12 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -75.95 -10.37 59.37 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 32.7 p 82.17 174.03 0.1 Allowed 'General case' 0 N--CA 1.483 1.212 1 C-N-CA 132.273 4.229 . . . . 0.0 114.044 177.232 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.64 -33.34 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 120.743 -1.223 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -62.47 -26.49 68.55 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.998 -1.063 . . . . 0.0 112.757 173.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.41 -31.88 42.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.082 0.953 . . . . 0.0 113.299 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 tp -56.48 -51.35 68.78 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.652 -1.28 . . . . 0.0 108.782 169.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -53.84 -42.57 68.65 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.77 1.628 . . . . 0.0 113.611 169.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -43.65 96.77 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.353 1.433 . . . . 0.0 112.944 174.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -63.17 -46.15 88.49 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.329 1.051 . . . . 0.0 112.138 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -58.01 -49.75 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.534 1.134 . . . . 0.0 110.805 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -50.21 69.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.737 1.215 . . . . 0.0 112.038 174.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -60.45 -47.93 83.97 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.703 1.201 . . . . 0.0 112.906 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -70.43 -53.84 14.8 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.326 1.451 . . . . 0.0 112.72 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -88.89 -15.62 33.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -169.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.19 122.69 3.62 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.172 1.844 . . . . 0.0 112.896 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 pttm -53.17 -33.1 51.09 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.234 1.414 . . . . 0.0 114.609 -172.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.5 -33.37 75.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.126 0.57 . . . . 0.0 112.261 -172.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.88 -24.73 14.57 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.627 1.171 . . . . 0.0 112.951 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -131.54 68.15 80.74 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 126.651 1.98 . . . . 0.0 111.612 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.09 139.05 11.68 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.963 2.442 . . . . 0.0 111.626 -176.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -51.98 -46.2 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 120.928 -1.107 . . . . 0.0 111.54 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 -2.64 13.12 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.49 -16.97 2.21 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 126.016 1.77 . . . . 0.0 115.329 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -67.35 137.31 55.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.213 1.506 . . . . 0.0 112.449 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -121.29 149.17 43.31 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.583 1.553 . . . . 0.0 109.066 168.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.49 124.16 28.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 126.233 1.813 . . . . 0.0 109.395 -169.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.94 120.73 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.054 1.342 . . . . 0.0 110.486 -169.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -127.75 147.7 50.41 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.274 1.03 . . . . 0.0 111.567 169.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.22 26.53 2.99 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.953 1.301 . . . . 0.0 114.26 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.72 19.28 79.71 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.161 1.362 . . . . 0.0 115.141 -174.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -127.0 129.82 48.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.51 1.924 . . . . 0.0 111.29 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -67.66 127.12 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.492 0.717 . . . . 0.0 110.545 175.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -75.64 138.68 41.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.744 1.617 . . . . 0.0 111.857 -176.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -73.07 122.09 21.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.786 1.235 . . . . 0.0 110.829 175.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.08 -33.56 26.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.398 1.479 . . . . 0.0 114.483 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -100.25 -3.66 31.0 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.0 m -88.19 145.34 25.96 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.511 1.125 . . . . 0.0 110.291 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -74.26 153.82 39.23 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.082 -1.011 . . . . 0.0 113.408 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.47 -29.95 70.67 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.114 0.966 . . . . 0.0 113.019 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -58.16 -35.14 71.11 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.733 1.613 . . . . 0.0 113.026 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.0 -17.48 64.47 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.035 1.334 . . . . 0.0 113.829 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -107.17 -0.11 22.97 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.041 1.737 . . . . 0.0 112.668 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 47.71 36.58 5.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.815 2.446 . . . . 0.0 114.017 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.56 146.28 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.148 1.379 . . . . 0.0 108.972 171.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -122.89 163.68 19.88 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.079 1.352 . . . . 0.0 111.279 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.7 -27.96 60.61 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.321 -0.862 . . . . 0.0 112.573 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -79.31 -37.88 36.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.548 1.539 . . . . 0.0 112.953 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -74.26 168.07 20.35 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.085 1.354 . . . . 0.0 111.24 173.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -116.18 141.73 47.76 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.575 0.75 . . . . 0.0 112.371 173.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.75 161.94 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.17 1.788 . . . . 0.0 109.582 169.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.8 t -112.22 133.39 58.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 O-C-N 121.739 -0.6 . . . . 0.0 110.465 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -121.29 140.52 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.38 1.472 . . . . 0.0 111.323 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -141.78 173.38 11.56 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.722 1.609 . . . . 0.0 111.65 173.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.468 0.442 0 C-N-CA 124.948 1.299 . . . . 0.0 110.084 179.05 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -65.34 -43.77 89.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.116 1.366 . . . . 0.0 112.76 173.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -69.08 -37.67 78.6 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.145 -0.972 . . . . 0.0 112.368 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -58.9 -45.16 90.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.939 0.895 . . . . 0.0 111.49 170.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 34.0 mt -56.89 -53.95 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.213 1.005 . . . . 0.0 111.0 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.21 77.36 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.841 1.201 . . . . 0.0 113.506 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -61.37 -44.51 97.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.489 1.115 . . . . 0.0 111.808 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -57.05 -48.08 79.41 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.772 0.829 . . . . 0.0 112.337 170.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 42.2 mtt -57.42 -45.32 84.74 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.971 1.308 . . . . 0.0 112.284 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -58.31 -46.69 85.68 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.895 0.77 . . . . 0.0 112.504 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 79.0 mtm -66.16 -39.77 90.02 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.665 0.666 . . . . 0.0 111.894 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 CA--C 1.538 0.484 0 C-N-CA 125.511 1.524 . . . . 0.0 113.502 174.59 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.8 ttp . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 121.61 0.719 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -84.93 75.74 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.935 1.294 . . . . 0.0 111.48 -171.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.16 119.3 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.026 1.33 . . . . 0.0 109.819 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.5 m -79.56 141.02 37.0 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.963 0.411 . . . . 0.0 110.579 170.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 mt -118.04 153.58 33.46 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.049 1.74 . . . . 0.0 111.595 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -134.16 123.94 25.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.702 2.001 . . . . 0.0 110.298 169.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 p -81.16 167.61 19.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.977 1.311 . . . . 0.0 112.114 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' B' ' 290' ' ' ALA . 52.1 mt -68.09 -22.35 64.91 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.025 -1.047 . . . . 0.0 113.692 170.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -79.39 5.66 12.08 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.056 1.343 . . . . 0.0 112.07 169.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 57.89 34.09 23.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.126 2.57 . . . . 0.0 114.316 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -89.34 149.21 23.12 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.893 1.277 . . . . 0.0 108.668 169.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 p -131.65 138.69 48.85 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.788 0.722 . . . . 0.0 112.67 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -144.67 171.36 14.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.481 1.912 . . . . 0.0 110.796 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -125.81 144.29 50.7 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.539 1.136 . . . . 0.0 111.964 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 mm -130.94 111.95 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.67 1.988 . . . . 0.0 109.171 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -77.45 70.66 3.86 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 122.153 0.978 . . . . 0.0 111.657 175.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 tp -78.65 150.12 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 125.517 1.527 . . . . 0.0 111.61 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -77.15 113.48 31.2 Favored Pre-proline 0 CA--C 1.554 1.115 0 O-C-N 120.938 -1.101 . . . . 0.0 111.179 172.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -70.07 -12.74 32.87 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.517 2.812 . . . . 0.0 113.807 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -72.11 -23.25 61.29 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.674 1.124 . . . . 0.0 112.237 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -84.67 176.46 8.56 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.056 1.342 . . . . 0.0 112.128 175.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.6 p -93.58 174.67 7.07 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.253 1.021 . . . . 0.0 113.587 -174.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.55 -32.02 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.159 0.983 . . . . 0.0 111.869 174.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -56.79 -39.41 74.05 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.152 -0.968 . . . . 0.0 112.069 171.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.53 -35.35 73.1 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 tp -54.11 -54.61 37.11 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.504 1.047 . . . . 0.0 110.563 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -51.61 -44.03 62.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.123 0.969 . . . . 0.0 113.549 171.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -44.96 87.49 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.676 1.19 . . . . 0.0 112.772 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -65.32 -44.26 88.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.597 1.159 . . . . 0.0 112.508 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.63 -50.62 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.873 0.869 . . . . 0.0 110.745 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.95 -43.76 91.31 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.449 0.699 . . . . 0.0 111.57 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.5 m -61.42 -44.69 96.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.132 0.973 . . . . 0.0 113.006 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.9 -58.11 3.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.465 1.106 . . . . 0.0 112.53 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -76.31 -20.03 57.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.635 1.174 . . . . 0.0 113.705 -174.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.91 141.15 6.51 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.422 1.963 . . . . 0.0 112.317 -172.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -58.91 -21.78 58.34 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.552 2.341 . . . . 0.0 114.24 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -64.18 -35.63 81.41 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.61 1.164 . . . . 0.0 112.899 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.23 -50.42 5.28 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.039 1.336 . . . . 0.0 112.105 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -137.09 80.2 35.77 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 125.676 1.59 . . . . 0.0 111.597 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.81 148.57 58.56 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.415 2.076 . . . . 0.0 110.007 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -54.32 -45.8 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 O-C-N 120.568 -1.333 . . . . 0.0 111.422 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.9 -13.68 62.11 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.254 1.575 . . . . 0.0 115.254 -177.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.86 -23.22 4.03 Favored Glycine 0 N--CA 1.476 1.31 0 C-N-CA 124.78 1.181 . . . . 0.0 114.896 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -75.42 147.25 40.1 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.706 1.253 . . . . 0.0 111.983 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -128.22 151.71 48.94 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.586 1.554 . . . . 0.0 110.448 170.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -125.41 123.64 39.73 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 127.298 2.239 . . . . 0.0 109.576 -169.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.63 122.43 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.929 1.291 . . . . 0.0 110.531 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -128.37 146.54 50.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.522 1.129 . . . . 0.0 111.434 171.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.87 25.74 1.7 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.49 13.14 82.13 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.011 1.291 . . . . 0.0 115.395 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -126.33 134.89 50.97 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.791 1.637 . . . . 0.0 111.388 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.2 126.27 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 123.605 0.762 . . . . 0.0 110.761 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -69.0 125.24 26.04 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.121 1.768 . . . . 0.0 111.011 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -70.6 122.54 19.93 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.854 0.862 . . . . 0.0 111.533 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -49.55 -45.85 48.03 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.433 1.493 . . . . 0.0 113.978 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -77.62 -17.23 57.99 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.123 1.369 . . . . 0.0 114.298 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.0 m -82.69 145.3 29.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.385 1.074 . . . . 0.0 110.775 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.62 155.57 33.39 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.242 -0.911 . . . . 0.0 113.446 -177.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.69 -33.09 75.13 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.01 -29.51 69.75 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.866 1.266 . . . . 0.0 113.805 175.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.93 -20.28 66.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.592 1.157 . . . . 0.0 113.091 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -107.1 0.47 23.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.486 1.914 . . . . 0.0 112.608 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 tttm 43.6 40.61 2.99 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.616 2.766 . . . . 0.0 115.069 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.9 mt -58.77 136.85 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.314 1.446 . . . . 0.0 110.254 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -102.84 159.78 15.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.779 1.232 . . . . 0.0 111.736 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -78.13 -40.67 37.39 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -80.79 -32.66 35.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.917 1.287 . . . . 0.0 112.181 -175.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -76.42 168.92 19.2 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.955 0.502 . . . . 0.0 110.659 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -117.77 144.86 44.94 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -97.13 161.43 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 126.371 1.869 . . . . 0.0 108.115 169.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.5 t -103.18 127.82 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.321 -0.862 . . . . 0.0 110.054 173.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.5 141.26 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.142 1.377 . . . . 0.0 109.309 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -137.2 167.75 20.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.729 1.212 . . . . 0.0 111.05 170.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.467 0.382 0 C-N-CA 124.846 1.259 . . . . 0.0 109.867 174.394 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.03 -33.39 75.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.862 0.865 . . . . 0.0 113.097 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -72.4 -40.78 66.95 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.308 -0.87 . . . . 0.0 112.444 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -63.83 -42.24 97.66 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.336 -0.853 . . . . 0.0 111.276 171.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.13 -49.89 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.17 0.988 . . . . 0.0 110.959 171.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.28 -32.52 72.35 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 120.0 1.273 . . . . 0.0 113.676 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.2 -42.25 89.07 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.043 -1.036 . . . . 0.0 111.951 169.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . 0.423 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -58.12 -46.23 85.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.845 0.858 . . . . 0.0 112.112 171.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.4 mtt -57.78 -45.29 86.2 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.424 1.49 . . . . 0.0 111.733 173.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.63 -47.23 85.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.312 0.96 . . . . 0.0 112.425 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 69.2 mtm -63.07 -40.26 97.16 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.192 0.906 . . . . 0.0 111.922 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 124.935 1.294 . . . . 0.0 113.431 173.457 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.821 0.343 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -92.2 84.83 5.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.413 1.085 . . . . 0.0 110.38 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.75 133.59 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.422 1.089 . . . . 0.0 109.503 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.2 m -81.37 133.52 35.43 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.729 -0.607 . . . . 0.0 109.585 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.5 147.49 29.32 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.426 1.49 . . . . 0.0 110.628 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HE3' ' CG2' ' A' ' 12' ' ' THR . 2.9 tppp? -135.63 122.6 21.34 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.84 2.456 . . . . 0.0 109.723 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.1 p -85.52 166.06 16.6 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.719 1.208 . . . . 0.0 111.778 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.7 mt -67.53 -22.59 65.42 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.805 -1.184 . . . . 0.0 113.675 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -77.26 7.98 4.59 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.129 1.372 . . . . 0.0 111.798 169.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 57.45 28.5 15.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.68 2.792 . . . . 0.0 114.242 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -89.21 157.87 18.09 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.586 1.155 . . . . 0.0 109.497 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.425 ' CG2' ' HE3' ' A' ' 6' ' ' LYS . 33.4 p -135.83 148.1 48.54 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.328 1.061 . . . . 0.0 113.665 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -146.93 -179.95 7.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.0 2.52 . . . . 0.0 109.098 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -129.13 153.11 48.01 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.18 -0.95 . . . . 0.0 111.083 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.1 mm -134.7 110.74 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 126.133 1.773 . . . . 0.0 108.876 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -77.5 99.32 5.64 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.993 169.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.0 tp -117.33 143.76 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.522 1.929 . . . . 0.0 111.553 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -77.54 121.16 83.94 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 125.648 1.579 . . . . 0.0 111.057 171.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.11 -29.84 65.47 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.22 2.613 . . . . 0.0 113.886 -174.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -77.18 -20.86 54.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.981 1.712 . . . . 0.0 114.168 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -82.77 -6.01 59.2 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -169.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.8 p 87.02 174.14 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.343 1 C-N-CA 132.012 4.125 . . . . 0.0 113.748 173.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.09 -31.9 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 O-C-N 120.769 -1.207 . . . . 0.0 112.267 176.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -56.96 -37.16 71.17 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.964 -1.085 . . . . 0.0 112.354 171.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.11 -33.83 68.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 174.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.65 -55.5 33.2 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.091 -1.005 . . . . 0.0 110.042 169.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -50.37 -43.59 54.44 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.862 1.265 . . . . 0.0 113.606 170.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -50.76 63.38 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.101 1.36 . . . . 0.0 112.189 174.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -41.14 87.64 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.627 0.771 . . . . 0.0 111.961 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.79 -49.16 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.096 0.958 . . . . 0.0 110.843 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.04 -44.35 91.76 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.635 0.774 . . . . 0.0 111.377 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -59.98 -49.33 78.11 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.682 1.193 . . . . 0.0 112.589 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.98 -52.71 32.7 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.835 1.254 . . . . 0.0 112.683 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -90.23 -15.28 31.67 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -170.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.58 150.7 24.85 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 126.779 2.133 . . . . 0.0 113.165 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -63.04 -26.34 68.8 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.609 1.164 . . . . 0.0 113.343 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.59 -36.82 83.54 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.388 1.075 . . . . 0.0 112.657 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.55 -54.04 5.0 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.573 1.149 . . . . 0.0 112.022 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -139.03 77.56 31.07 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 124.963 1.305 . . . . 0.0 111.54 -172.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.43 146.58 56.47 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 C-N-CA 122.364 2.043 . . . . 0.0 109.929 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.4 t -51.4 -45.21 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 120.933 -1.105 . . . . 0.0 112.016 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.85 -14.89 61.6 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.36 -25.05 3.9 Favored Glycine 0 N--CA 1.476 1.322 0 C-N-CA 125.065 1.316 . . . . 0.0 114.8 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -71.43 144.79 49.63 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.477 1.139 . . . . 0.0 110.964 172.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -125.79 145.05 50.38 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.397 1.479 . . . . 0.0 109.764 171.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -121.75 127.23 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 126.806 2.042 . . . . 0.0 109.812 -169.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mp -134.65 126.95 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.002 1.321 . . . . 0.0 110.801 -171.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -132.09 137.19 47.65 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.759 1.224 . . . . 0.0 111.078 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 44.76 39.27 3.35 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.339 1.456 . . . . 0.0 114.551 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.8 28.42 73.62 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 126.79 2.138 . . . . 0.0 115.238 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -130.91 129.94 42.86 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.996 2.118 . . . . 0.0 110.723 173.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -73.21 123.27 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.693 0.797 . . . . 0.0 110.86 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.15 112.48 2.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.753 1.621 . . . . 0.0 110.639 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -71.49 125.13 26.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.486 1.114 . . . . 0.0 110.677 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.53 -46.77 57.58 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.803 2.041 . . . . 0.0 114.631 -169.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -78.75 -17.42 55.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.874 1.27 . . . . 0.0 114.046 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.9 m -76.59 145.6 38.84 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.545 1.138 . . . . 0.0 110.761 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.66 155.89 31.08 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.1 -1.0 . . . . 0.0 113.113 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 99.9 mt -69.8 -26.33 64.21 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.052 0.941 . . . . 0.0 113.317 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -60.26 -32.06 70.8 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.655 1.582 . . . . 0.0 112.899 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.08 -21.57 64.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.186 1.395 . . . . 0.0 113.363 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -102.92 -3.43 26.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.03 1.732 . . . . 0.0 112.545 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 45.48 43.44 8.83 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.874 2.47 . . . . 0.0 113.409 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.11 133.97 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.917 1.287 . . . . 0.0 109.722 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -102.77 157.1 17.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.333 1.053 . . . . 0.0 111.648 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.82 -33.18 57.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.683 0.793 . . . . 0.0 112.998 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -82.98 -33.93 26.5 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.109 1.363 . . . . 0.0 112.463 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -74.04 170.08 16.18 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.252 0.621 . . . . 0.0 110.253 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -115.95 147.53 41.05 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.93 0.892 . . . . 0.0 113.217 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.84 147.63 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.242 1.817 . . . . 0.0 107.614 169.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.1 t -99.11 134.58 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 121.88 -0.513 . . . . 0.0 109.944 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.98 137.46 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.219 1.408 . . . . 0.0 110.794 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.5 ptm -137.78 170.47 16.01 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.984 1.713 . . . . 0.0 111.686 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.468 0.433 0 C-N-CA 125.101 1.361 . . . . 0.0 109.478 175.342 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -62.24 -39.53 93.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.13 0.972 . . . . 0.0 112.787 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.96 -39.68 79.33 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.325 1.05 . . . . 0.0 112.269 174.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -63.03 -41.87 99.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.419 1.088 . . . . 0.0 111.502 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.61 -48.9 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.741 1.216 . . . . 0.0 110.816 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -57.03 -37.75 72.19 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.984 1.265 . . . . 0.0 113.124 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -58.98 -47.03 86.6 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.413 1.085 . . . . 0.0 111.927 169.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.12 84.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.823 0.849 . . . . 0.0 113.281 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 8.2 mmt -53.85 -55.41 26.98 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.87 1.268 . . . . 0.0 110.863 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -48.38 -49.46 34.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.188 1.395 . . . . 0.0 112.681 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 65.9 mtm -64.72 -44.68 89.42 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.668 0.667 . . . . 0.0 111.78 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 175.355 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttp . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 121.769 0.795 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -86.96 79.23 8.81 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.399 1.08 . . . . 0.0 111.23 -170.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.63 119.35 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.752 1.221 . . . . 0.0 109.601 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 m -79.4 140.95 37.27 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.944 0.498 . . . . 0.0 110.037 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 mt -116.39 154.01 31.02 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.567 1.547 . . . . 0.0 111.673 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -132.91 122.79 24.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 128.242 2.617 . . . . 0.0 108.887 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -82.75 165.78 19.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.71 1.204 . . . . 0.0 111.722 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' B' ' 290' ' ' ALA . 38.9 mt -67.78 -21.94 65.22 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.082 -1.011 . . . . 0.0 113.4 170.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -78.0 4.98 10.82 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.784 1.233 . . . . 0.0 112.224 169.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 62.2 27.36 16.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.173 2.589 . . . . 0.0 114.177 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -87.63 157.43 19.12 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.582 1.153 . . . . 0.0 109.225 170.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.9 p -136.61 144.59 44.17 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.528 -0.732 . . . . 0.0 112.388 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -145.93 171.77 14.34 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.834 2.054 . . . . 0.0 109.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -126.96 142.19 51.61 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.108 0.963 . . . . 0.0 111.56 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 mm -128.74 111.92 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 126.754 2.022 . . . . 0.0 109.008 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.73 88.5 2.24 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.089 0.947 . . . . 0.0 110.731 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.454 HD12 ' H ' ' A' ' 18' ' ' ASP . 5.6 tp -99.67 146.05 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.981 1.712 . . . . 0.0 111.141 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.454 ' H ' HD12 ' A' ' 17' ' ' ILE . 5.2 m-20 -72.97 109.12 5.51 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 126.486 1.914 . . . . 0.0 110.63 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -70.43 -15.68 34.61 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.303 2.669 . . . . 0.0 112.927 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.13 -20.74 64.05 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.351 1.46 . . . . 0.0 112.602 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -93.01 -179.08 5.0 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.663 1.585 . . . . 0.0 112.255 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.6 p -97.33 175.22 6.34 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.631 1.172 . . . . 0.0 113.626 -173.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 53' ' ' LEU . 69.3 t -61.24 -31.87 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.193 0.997 . . . . 0.0 111.63 174.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -58.63 -38.46 78.12 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.786 -1.196 . . . . 0.0 112.106 170.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.02 78.2 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.776 0.716 . . . . 0.0 112.878 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.95 -54.21 45.71 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.931 1.241 . . . . 0.0 110.476 169.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -51.75 -42.91 62.68 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -45.22 95.32 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.637 1.108 . . . . 0.0 112.802 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -45.22 93.88 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.868 1.267 . . . . 0.0 111.873 174.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.36 -52.89 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.524 1.129 . . . . 0.0 110.739 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.96 -42.35 84.8 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.77 0.828 . . . . 0.0 111.847 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -59.81 -52.32 65.96 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.506 1.522 . . . . 0.0 112.438 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -70.67 -54.43 11.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.406 1.082 . . . . 0.0 112.759 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -78.86 -19.32 52.27 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.7 1.2 . . . . 0.0 113.862 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.61 141.29 3.91 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.174 1.845 . . . . 0.0 111.661 -169.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -66.84 -15.85 63.89 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.71 -36.84 85.19 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.435 1.094 . . . . 0.0 112.28 169.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.6 -50.84 6.02 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.781 1.232 . . . . 0.0 111.925 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -136.88 83.45 28.75 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.467 1.507 . . . . 0.0 111.419 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.63 154.46 64.29 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.387 2.058 . . . . 0.0 109.746 171.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.89 -45.4 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 120.375 -1.453 . . . . 0.0 111.324 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.07 65.76 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.57 -24.77 6.9 Favored Glycine 0 N--CA 1.476 1.321 0 C-N-CA 124.735 1.16 . . . . 0.0 114.993 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.89 149.53 29.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.498 1.149 . . . . 0.0 112.814 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -127.7 153.31 46.65 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.906 1.682 . . . . 0.0 110.237 169.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -126.03 122.47 35.95 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.905 2.082 . . . . 0.0 109.994 -169.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.82 120.88 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.453 1.501 . . . . 0.0 110.012 -170.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -129.36 146.11 51.29 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.681 1.192 . . . . 0.0 112.735 172.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.97 25.45 1.65 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.407 1.483 . . . . 0.0 114.331 -174.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.74 79.7 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.721 1.629 . . . . 0.0 115.433 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -125.59 149.31 48.49 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.131 1.772 . . . . 0.0 111.281 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.32 128.35 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.203 0.601 . . . . 0.0 110.156 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.449 ' HB3' HG21 ' A' ' 23' ' ' VAL . 28.1 mt -71.12 124.1 23.65 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.029 1.732 . . . . 0.0 110.943 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -72.25 124.25 24.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.221 1.008 . . . . 0.0 111.228 177.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.58 -49.78 45.17 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.279 1.832 . . . . 0.0 114.308 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.98 -9.72 59.24 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.71 1.204 . . . . 0.0 113.986 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.4 m -85.6 146.65 26.77 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.74 1.216 . . . . 0.0 110.945 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.8 156.3 34.65 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.06 -32.76 74.16 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.86 -25.72 65.27 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.968 1.307 . . . . 0.0 114.044 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -66.2 -15.73 63.41 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.607 1.163 . . . . 0.0 113.614 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -116.41 -2.43 12.06 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.738 1.615 . . . . 0.0 112.863 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 45.1 39.56 4.0 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.862 2.465 . . . . 0.0 114.054 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mt -58.72 142.58 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.121 1.369 . . . . 0.0 109.128 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -121.27 157.83 29.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.932 1.293 . . . . 0.0 111.378 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.55 -33.54 71.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -79.67 -32.65 41.5 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.178 1.391 . . . . 0.0 113.018 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -79.18 177.3 8.93 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.345 1.458 . . . . 0.0 111.192 173.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -130.89 145.2 51.94 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.906 -1.121 . . . . 0.0 113.55 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.84 164.45 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.631 1.972 . . . . 0.0 108.98 169.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.9 t -109.81 130.36 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.469 -0.77 . . . . 0.0 110.243 171.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.1 141.24 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 125.414 1.486 . . . . 0.0 109.37 171.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -135.93 164.66 27.45 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.099 0.959 . . . . 0.0 111.658 170.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 CA--C 1.534 0.336 0 C-N-CA 125.256 1.422 . . . . 0.0 109.74 174.792 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.63 -41.03 98.3 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.719 0.808 . . . . 0.0 112.517 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -71.25 -35.78 71.53 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.411 -0.805 . . . . 0.0 112.598 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -59.0 -46.2 88.75 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.257 0.935 . . . . 0.0 111.369 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.08 -52.64 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.466 1.106 . . . . 0.0 110.817 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.44 76.29 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.52 1.055 . . . . 0.0 113.253 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -62.25 -43.59 98.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.074 0.95 . . . . 0.0 111.876 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . 0.425 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -56.73 -48.67 77.25 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.456 -0.777 . . . . 0.0 112.224 171.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 42.1 mtt -57.46 -45.12 85.12 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.775 1.23 . . . . 0.0 112.165 175.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -60.26 -40.27 89.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.991 0.916 . . . . 0.0 113.028 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 72.6 mtm -69.95 -41.49 74.47 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.273 -0.892 . . . . 0.0 111.635 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 125.373 1.469 . . . . 0.0 113.092 174.692 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 ttp . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 121.669 0.747 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -90.0 74.23 7.28 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 125.414 1.486 . . . . 0.0 112.045 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -63.05 136.07 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.018 1.727 . . . . 0.0 110.481 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 m -84.94 137.14 33.29 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.678 -0.639 . . . . 0.0 110.198 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.39 150.51 32.59 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.739 2.015 . . . . 0.0 110.534 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -137.67 126.73 24.31 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.175 1.79 . . . . 0.0 111.114 170.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -80.22 168.55 18.94 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.808 1.243 . . . . 0.0 112.284 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 mt -66.79 -18.91 65.61 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.864 -1.148 . . . . 0.0 114.072 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -83.45 6.48 20.07 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.031 1.332 . . . . 0.0 111.534 169.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 54.04 35.83 23.09 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.033 2.533 . . . . 0.0 114.172 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -87.87 140.43 29.51 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 169.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -127.13 136.72 52.5 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.82 0.819 . . . . 0.0 112.425 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -148.88 179.04 8.15 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.961 2.105 . . . . 0.0 109.438 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -119.81 151.82 38.24 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.725 0.81 . . . . 0.0 112.013 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 mm -131.11 108.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 127.128 2.171 . . . . 0.0 108.699 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -78.34 90.8 4.4 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.447 0.642 . . . . 0.0 110.799 170.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -106.28 145.72 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.212 1.805 . . . . 0.0 110.945 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -73.16 115.68 43.13 Favored Pre-proline 0 CA--C 1.553 1.065 0 O-C-N 121.028 -1.045 . . . . 0.0 110.782 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -72.24 -15.43 28.51 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.025 2.484 . . . . 0.0 114.123 -174.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -78.56 -18.19 55.01 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.268 0.94 . . . . 0.0 112.195 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.92 177.75 8.7 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.866 1.266 . . . . 0.0 112.134 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 43.7 p -93.41 174.57 7.14 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 122.397 1.094 . . . . 0.0 113.897 -174.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' A' ' 53' ' ' LEU . 76.7 t -61.76 -32.01 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.248 -0.908 . . . . 0.0 111.7 173.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -58.71 -36.5 74.36 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.038 -1.039 . . . . 0.0 112.018 170.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.43 77.95 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 tp -53.73 -54.95 30.85 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.693 -1.254 . . . . 0.0 110.347 169.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -51.18 -43.81 61.39 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.273 1.029 . . . . 0.0 113.431 170.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -46.18 89.05 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.436 1.016 . . . . 0.0 112.575 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -66.69 -38.47 86.83 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.892 0.877 . . . . 0.0 112.183 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.3 mt -60.39 -49.41 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.161 0.985 . . . . 0.0 110.825 170.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.24 -43.63 92.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.461 0.705 . . . . 0.0 111.514 177.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.6 t -60.39 -45.36 93.83 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.803 1.241 . . . . 0.0 112.51 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -67.61 -55.73 12.2 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.777 1.231 . . . . 0.0 112.724 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -88.68 -18.41 27.95 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 153.3 27.85 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 127.066 2.27 . . . . 0.0 113.366 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -62.96 -29.34 70.73 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.729 1.212 . . . . 0.0 113.252 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.71 -33.29 75.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.22 1.008 . . . . 0.0 112.611 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.09 -54.48 4.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.696 1.198 . . . . 0.0 112.058 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -139.61 77.4 28.25 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.109 1.364 . . . . 0.0 111.725 -172.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -72.11 142.29 37.86 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.829 2.352 . . . . 0.0 110.292 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.7 t -51.11 -46.87 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 120.872 -1.143 . . . . 0.0 111.751 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.99 -16.43 63.89 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.54 -21.28 7.66 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.531 1.539 . . . . 0.0 114.492 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -67.98 143.92 55.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.325 1.05 . . . . 0.0 113.319 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -131.83 138.43 48.49 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.523 1.929 . . . . 0.0 107.834 168.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -120.82 127.1 51.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.558 1.943 . . . . 0.0 110.332 -169.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.08 126.04 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.256 1.422 . . . . 0.0 110.235 -170.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -132.16 134.83 45.86 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.061 1.344 . . . . 0.0 110.733 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.36 34.7 6.78 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.21 15.83 76.88 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.211 1.862 . . . . 0.0 115.706 -177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -121.58 136.37 54.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.312 1.845 . . . . 0.0 110.323 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 mt -77.99 127.43 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.563 0.696 . . . . 0.0 109.747 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' HB3' HG21 ' A' ' 23' ' ' VAL . 30.3 mt -66.66 116.87 8.06 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.236 1.814 . . . . 0.0 110.36 177.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -69.88 124.63 24.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.175 0.99 . . . . 0.0 111.309 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.44 -50.12 42.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.253 1.821 . . . . 0.0 114.462 -172.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.38 -14.55 59.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.702 1.201 . . . . 0.0 113.941 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.2 m -79.66 146.7 32.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.851 1.26 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.97 159.03 31.28 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.49 -32.49 70.03 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.089 -1.007 . . . . 0.0 113.51 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -57.98 -25.93 61.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.785 1.234 . . . . 0.0 114.033 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -66.13 -18.3 65.26 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.779 1.232 . . . . 0.0 113.785 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -113.4 -3.28 13.78 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.635 1.574 . . . . 0.0 112.731 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 43.51 43.29 4.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.986 2.514 . . . . 0.0 113.654 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.2 mt -59.97 139.71 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.251 1.421 . . . . 0.0 109.345 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -109.01 158.65 17.52 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.482 1.113 . . . . 0.0 111.627 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -70.65 -39.86 73.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.004 0.921 . . . . 0.0 112.689 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -80.11 -31.65 39.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.099 1.36 . . . . 0.0 112.774 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -75.26 169.21 18.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.034 0.534 . . . . 0.0 110.872 170.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -116.27 149.22 39.58 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.883 0.873 . . . . 0.0 113.174 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.77 157.6 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.288 1.835 . . . . 0.0 108.549 169.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.7 t -105.36 129.09 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 121.859 -0.526 . . . . 0.0 110.097 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.1 p -115.25 137.18 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.393 1.477 . . . . 0.0 110.272 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.11 163.07 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.383 1.473 . . . . 0.0 111.055 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.469 0.494 0 C-N-CA 125.091 1.356 . . . . 0.0 108.921 177.169 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 111.416 0.154 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.36 -40.02 95.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.586 0.754 . . . . 0.0 112.91 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -65.83 -44.46 85.47 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.513 -0.742 . . . . 0.0 112.101 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -62.04 -42.3 99.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.564 0.746 . . . . 0.0 112.147 174.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.62 -52.05 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.32 1.048 . . . . 0.0 110.764 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.8 76.46 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.898 1.227 . . . . 0.0 112.841 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -61.63 -49.16 77.69 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.605 -0.684 . . . . 0.0 111.439 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.19 76.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.137 0.975 . . . . 0.0 113.411 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 46.4 mtt -56.07 -59.8 4.39 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.126 1.37 . . . . 0.0 110.898 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -54.28 -40.92 68.31 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.55 0.74 . . . . 0.0 112.361 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 39.8 ttp -61.64 -48.76 79.38 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.671 0.669 . . . . 0.0 112.159 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 172.833 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 121.574 0.702 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -85.99 76.44 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 125.045 1.338 . . . . 0.0 111.631 -172.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.26 131.78 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.109 1.363 . . . . 0.0 109.904 173.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.6 m -79.99 134.83 36.27 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.859 -0.526 . . . . 0.0 109.676 169.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.59 150.87 26.9 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.381 1.472 . . . . 0.0 110.938 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -138.84 133.74 32.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.698 1.599 . . . . 0.0 111.707 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 p -91.85 168.82 11.17 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.36 1.464 . . . . 0.0 112.467 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' B' ' 290' ' ' ALA . 31.4 mt -66.66 -23.96 66.22 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -78.8 8.25 5.76 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.526 1.53 . . . . 0.0 112.06 169.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 57.01 28.1 14.29 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.73 2.412 . . . . 0.0 114.118 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -89.28 151.59 22.03 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.403 1.081 . . . . 0.0 109.441 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.0 p -131.73 142.21 49.73 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.9 0.857 . . . . 0.0 113.032 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -144.46 -178.5 6.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.02 2.128 . . . . 0.0 110.331 -172.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.35 149.42 52.56 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.136 -0.978 . . . . 0.0 111.917 171.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mm -133.67 110.37 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.785 2.034 . . . . 0.0 108.968 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -77.7 93.86 4.34 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.422 0.63 . . . . 0.0 110.753 170.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.3 tp -110.71 147.79 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.522 1.929 . . . . 0.0 111.346 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -76.77 116.21 54.83 Favored Pre-proline 0 CA--C 1.554 1.133 0 O-C-N 121.055 -1.028 . . . . 0.0 111.13 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.29 -13.29 25.56 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.294 2.663 . . . . 0.0 114.852 -173.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.85 -15.37 48.44 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.488 1.04 . . . . 0.0 112.64 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -77.48 173.86 11.5 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.375 1.084 . . . . 0.0 112.02 170.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 49.4 p -88.51 172.91 8.99 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 122.144 0.973 . . . . 0.0 113.331 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 53' ' ' LEU . 73.5 t -57.51 -30.68 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.431 1.092 . . . . 0.0 111.788 174.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -59.07 -33.46 70.83 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.92 -1.113 . . . . 0.0 113.196 172.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.52 -38.48 71.09 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.011 0.823 . . . . 0.0 112.853 172.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.8 tp -54.18 -54.12 44.14 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.395 -1.44 . . . . 0.0 110.399 169.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -51.88 -42.78 62.93 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.107 1.363 . . . . 0.0 113.511 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -46.41 89.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.155 0.982 . . . . 0.0 112.553 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.52 -41.02 96.65 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.49 0.716 . . . . 0.0 111.907 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.64 -48.78 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.876 0.87 . . . . 0.0 110.819 174.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.46 -46.02 89.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.198 0.599 . . . . 0.0 111.542 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.1 t -58.26 -48.21 81.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.62 1.168 . . . . 0.0 112.532 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.79 -58.62 4.7 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.151 1.38 . . . . 0.0 112.832 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -81.84 -17.1 48.62 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.26 148.99 21.39 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 127.063 2.268 . . . . 0.0 112.863 -174.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -62.19 -27.79 69.22 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.571 1.148 . . . . 0.0 113.149 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -66.45 -35.02 79.25 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.496 1.118 . . . . 0.0 112.673 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.37 -49.8 6.15 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.512 1.125 . . . . 0.0 112.37 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -136.33 74.36 54.81 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.874 1.269 . . . . 0.0 111.618 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.44 142.93 50.74 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 122.58 2.186 . . . . 0.0 109.848 173.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.46 -44.08 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.721 -1.237 . . . . 0.0 111.39 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.25 -18.74 63.88 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.49 -22.41 5.8 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.867 1.698 . . . . 0.0 114.644 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -64.34 148.1 51.09 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.709 1.204 . . . . 0.0 113.135 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -134.64 145.63 48.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 127.637 2.375 . . . . 0.0 107.587 168.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.51 123.88 34.67 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 126.352 1.861 . . . . 0.0 110.091 -169.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mp -131.46 125.86 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.695 1.198 . . . . 0.0 110.39 -171.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -130.34 141.56 50.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.827 1.251 . . . . 0.0 111.306 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.56 27.18 1.38 Allowed 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.62 82.82 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.552 2.025 . . . . 0.0 116.072 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -121.7 138.49 54.33 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.134 1.467 . . . . 0.0 111.831 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -72.76 125.49 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.763 0.825 . . . . 0.0 109.896 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.421 ' HB3' HG21 ' A' ' 23' ' ' VAL . 31.9 mt -68.08 118.22 10.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.393 1.877 . . . . 0.0 110.726 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -68.52 127.07 31.66 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.893 0.877 . . . . 0.0 111.327 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -56.26 -41.01 75.11 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -170.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.87 -12.31 57.52 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.876 1.27 . . . . 0.0 113.76 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.4 m -82.29 148.1 28.53 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.92 1.288 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.509 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -77.12 156.82 31.39 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.736 1.014 . . . . 0.0 113.736 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.64 -31.15 71.65 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.34 -0.85 . . . . 0.0 112.75 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -47.61 -40.8 20.42 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.778 2.031 . . . . 0.0 113.2 170.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.99 -21.19 66.81 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.419 1.487 . . . . 0.0 114.095 -173.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -110.45 -1.0 17.25 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.913 1.685 . . . . 0.0 112.534 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 mptt 48.26 36.83 7.38 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.897 2.479 . . . . 0.0 113.686 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.25 133.68 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.432 1.493 . . . . 0.0 109.841 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.0 159.13 15.79 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.217 1.007 . . . . 0.0 111.458 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.14 -42.58 75.79 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.366 -0.834 . . . . 0.0 112.657 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -75.81 -33.93 60.13 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.905 1.282 . . . . 0.0 112.913 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -79.0 167.33 21.26 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.196 0.598 . . . . 0.0 110.962 172.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -114.19 144.31 43.41 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.59 155.77 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.935 1.694 . . . . 0.0 107.69 168.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.5 t -106.66 130.06 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.684 -0.635 . . . . 0.0 110.006 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.51 134.9 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.445 1.498 . . . . 0.0 110.242 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.5 ptm -133.24 167.16 20.87 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.993 1.317 . . . . 0.0 111.177 169.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 125.001 1.32 . . . . 0.0 109.276 178.392 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.09 -39.41 93.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.137 0.975 . . . . 0.0 113.058 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -67.63 -42.67 81.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.293 -0.879 . . . . 0.0 112.334 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -60.74 -43.2 98.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.914 0.886 . . . . 0.0 111.421 173.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 48.9 mt -57.6 -52.65 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.498 1.119 . . . . 0.0 111.421 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.86 -33.08 73.54 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.705 1.139 . . . . 0.0 113.513 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -61.98 -48.87 78.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.596 1.159 . . . . 0.0 111.266 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -55.6 -44.17 76.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.931 0.892 . . . . 0.0 113.202 171.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 49.2 mtt -56.78 -56.36 22.55 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.899 1.28 . . . . 0.0 111.814 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -54.85 -40.33 69.52 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.727 0.811 . . . . 0.0 112.693 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.9 -54.04 47.4 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.917 0.78 . . . . 0.0 111.965 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ptm . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.762 0.315 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -87.59 80.35 8.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.138 0.975 . . . . 0.0 111.137 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.11 123.82 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.981 0.912 . . . . 0.0 109.279 173.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.3 m -79.32 139.41 37.82 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.042 0.448 . . . . 0.0 109.844 170.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.6 mt -116.47 153.99 31.16 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 125.615 1.566 . . . . 0.0 111.382 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -133.79 130.6 38.22 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 126.065 1.746 . . . . 0.0 109.986 169.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 p -87.28 169.11 12.59 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.823 1.249 . . . . 0.0 111.667 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -70.22 -18.68 63.17 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.047 -1.033 . . . . 0.0 113.42 171.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -81.92 5.24 19.66 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.263 1.425 . . . . 0.0 111.756 169.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 58.97 28.88 18.23 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.989 2.516 . . . . 0.0 114.454 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -86.36 153.6 21.82 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.881 0.872 . . . . 0.0 108.976 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 p -133.55 140.71 47.34 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.514 -0.741 . . . . 0.0 112.711 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -144.78 171.56 14.24 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.568 1.947 . . . . 0.0 110.789 -172.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -125.6 143.34 51.06 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.553 1.141 . . . . 0.0 111.408 169.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mm -130.66 111.62 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.551 1.94 . . . . 0.0 109.245 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -73.59 97.44 2.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.299 0.64 . . . . 0.0 111.008 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.429 HD12 ' H ' ' A' ' 18' ' ' ASP . 6.2 tp -109.8 147.07 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 126.388 1.875 . . . . 0.0 112.126 -175.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.429 ' H ' HD12 ' A' ' 17' ' ' ILE . 12.0 m-20 -78.01 111.48 18.51 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.172 1.789 . . . . 0.0 111.182 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.4 -21.55 35.02 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.131 2.554 . . . . 0.0 114.025 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.77 -16.66 61.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.809 1.244 . . . . 0.0 112.889 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -86.35 179.0 6.97 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.84 1.256 . . . . 0.0 111.705 170.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 47.8 p -94.43 176.32 6.34 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 53' ' ' LEU . 71.3 t -59.79 -33.46 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 121.061 -1.024 . . . . 0.0 111.496 171.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.85 -31.86 70.15 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.159 -0.963 . . . . 0.0 112.397 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.76 -35.38 65.0 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -55.19 -54.06 48.09 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.675 -1.266 . . . . 0.0 109.499 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -50.67 -44.91 57.85 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.335 1.454 . . . . 0.0 113.735 169.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -41.59 99.0 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.99 1.268 . . . . 0.0 113.173 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -65.51 -39.88 92.36 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.695 1.198 . . . . 0.0 111.876 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.1 -49.83 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.392 1.077 . . . . 0.0 110.722 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.94 -42.57 85.18 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.095 0.861 . . . . 0.0 111.61 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -61.25 -44.28 97.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.513 1.525 . . . . 0.0 112.855 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.01 -57.66 3.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.603 1.161 . . . . 0.0 112.74 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -80.44 -18.46 48.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.706 1.603 . . . . 0.0 113.923 -171.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.52 134.26 5.73 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 126.527 2.013 . . . . 0.0 113.555 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -56.18 -22.0 26.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.914 2.486 . . . . 0.0 114.619 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.5 -29.85 69.34 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.865 1.266 . . . . 0.0 113.386 171.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.99 -36.3 3.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.107 1.363 . . . . 0.0 113.18 -173.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -134.5 68.72 72.79 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.65 1.58 . . . . 0.0 111.59 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.57 144.93 51.08 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.561 2.174 . . . . 0.0 110.676 174.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.4 t -52.22 -43.71 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.648 1.179 . . . . 0.0 111.284 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.61 -15.0 62.31 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.63 -23.46 4.37 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.243 1.402 . . . . 0.0 114.911 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.61 144.86 56.69 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.855 1.328 . . . . 0.0 113.339 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -130.34 143.98 51.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.457 1.903 . . . . 0.0 108.315 168.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 123.49 38.4 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.305 1.842 . . . . 0.0 110.256 -169.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.85 128.89 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.752 1.221 . . . . 0.0 111.007 -170.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -131.67 140.99 49.48 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.676 1.19 . . . . 0.0 111.482 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.79 33.08 4.05 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.21 18.2 79.74 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 126.608 2.051 . . . . 0.0 115.525 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -128.65 129.88 46.46 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.388 1.875 . . . . 0.0 110.761 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -67.81 126.11 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 121.429 0.633 . . . . 0.0 110.339 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HB3' HG21 ' A' ' 23' ' ' VAL . 30.7 mt -67.21 119.64 12.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.118 1.767 . . . . 0.0 110.248 175.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -68.88 126.17 28.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.578 0.751 . . . . 0.0 111.259 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.64 -49.42 65.2 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.842 1.657 . . . . 0.0 113.965 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.98 -13.5 60.24 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.237 1.415 . . . . 0.0 113.909 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.0 m -81.68 146.51 29.99 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.23 . . . . 0.0 110.795 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.59 158.26 31.28 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.84 -29.59 66.89 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.098 -1.001 . . . . 0.0 113.205 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.11 -21.27 61.33 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.173 1.389 . . . . 0.0 113.935 173.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -73.01 -14.59 61.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.053 1.341 . . . . 0.0 113.673 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -119.24 -4.05 10.52 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.309 1.443 . . . . 0.0 113.297 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 46.92 37.12 4.55 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.876 2.47 . . . . 0.0 114.166 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.3 mt -59.5 141.26 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.686 1.594 . . . . 0.0 110.31 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -103.66 163.81 12.08 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.237 1.415 . . . . 0.0 111.978 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -85.25 -39.52 17.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.394 1.078 . . . . 0.0 112.908 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -76.2 -39.33 54.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.717 1.607 . . . . 0.0 111.969 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -76.31 164.46 26.01 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.859 1.264 . . . . 0.0 110.589 171.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -116.36 147.87 41.17 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -175.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.99 165.17 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 127.866 2.467 . . . . 0.0 107.97 169.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.8 t -111.81 126.81 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.161 -0.962 . . . . 0.0 111.026 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.63 136.69 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.389 1.476 . . . . 0.0 109.726 171.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -137.76 169.96 16.89 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.037 1.335 . . . . 0.0 111.153 170.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.467 0.418 0 C-N-CA 124.642 1.177 . . . . 0.0 109.686 177.226 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.06 -35.65 79.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.128 0.971 . . . . 0.0 113.243 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -73.4 -42.4 62.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.221 1.008 . . . . 0.0 111.406 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.36 -43.37 92.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.061 0.944 . . . . 0.0 111.647 171.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 53.3 mt -58.36 -53.63 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.67 1.188 . . . . 0.0 110.94 171.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.88 75.87 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 120.115 1.325 . . . . 0.0 113.413 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -61.55 -45.93 92.06 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.461 1.104 . . . . 0.0 111.668 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.84 81.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.897 0.879 . . . . 0.0 112.851 171.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 44.5 mtt -55.59 -52.04 65.11 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.269 1.428 . . . . 0.0 111.61 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -55.66 -45.53 77.68 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.62 0.768 . . . . 0.0 112.624 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.8 mtm -64.37 -44.1 92.45 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.863 0.756 . . . . 0.0 112.202 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 36.5 p . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 178.539 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptm . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.646 0.26 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -86.81 88.24 7.64 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.142 0.977 . . . . 0.0 110.585 -176.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.1 t -68.51 121.14 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.303 1.041 . . . . 0.0 109.067 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.5 m -79.15 141.42 37.26 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 170.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.1 mt -119.5 151.78 38.03 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.803 1.641 . . . . 0.0 111.501 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -132.18 125.35 30.98 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.03 1.732 . . . . 0.0 110.522 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 p -82.94 164.65 20.3 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.289 1.436 . . . . 0.0 111.401 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' B' ' 290' ' ' ALA . 34.7 mt -70.71 -21.11 62.6 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.19 -0.944 . . . . 0.0 113.319 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -76.15 6.07 5.92 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.256 1.422 . . . . 0.0 112.113 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 65.28 22.86 12.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.934 2.493 . . . . 0.0 113.826 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -89.08 157.11 18.44 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.355 1.062 . . . . 0.0 109.745 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.0 p -133.88 144.57 48.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.741 0.782 . . . . 0.0 112.271 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -146.2 178.0 8.56 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 127.044 2.138 . . . . 0.0 110.282 -172.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -134.08 153.08 52.03 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.088 -1.008 . . . . 0.0 111.853 169.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mm -136.94 114.86 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 126.51 1.924 . . . . 0.0 109.506 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -75.66 109.42 9.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 122.605 0.362 . . . . 0.0 110.509 169.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.0 tp -126.8 151.9 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 127.027 2.131 . . . . 0.0 111.49 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -84.14 121.17 75.48 Favored Pre-proline 0 CA--C 1.555 1.136 0 O-C-N 121.098 -1.001 . . . . 0.0 111.683 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.78 -18.81 31.96 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.29 2.66 . . . . 0.0 115.277 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.27 -20.88 56.95 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.243 0.929 . . . . 0.0 111.943 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.28 178.77 8.06 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.707 1.203 . . . . 0.0 111.825 169.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 42.1 p -101.18 176.22 5.33 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -169.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 53' ' ' LEU . 94.8 t -59.01 -34.18 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.698 0.799 . . . . 0.0 111.059 170.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.65 -31.82 71.95 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.14 -0.975 . . . . 0.0 112.754 171.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.82 64.58 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.506 1.048 . . . . 0.0 112.894 171.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 tp -54.74 -52.72 61.62 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.69 -1.256 . . . . 0.0 109.78 169.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -51.07 -45.54 61.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.768 1.227 . . . . 0.0 113.379 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -43.17 93.05 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.776 1.171 . . . . 0.0 112.505 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -65.51 -43.02 91.41 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.608 0.763 . . . . 0.0 112.885 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.93 -48.68 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.447 0.699 . . . . 0.0 110.401 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -46.36 88.87 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.512 1.125 . . . . 0.0 111.507 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 t -56.75 -46.71 81.23 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.885 1.674 . . . . 0.0 112.575 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.98 -56.56 4.8 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.19 1.396 . . . . 0.0 112.647 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -85.82 -17.51 35.51 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.828 1.251 . . . . 0.0 114.046 -170.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.96 149.35 23.98 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 127.16 2.314 . . . . 0.0 113.457 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -63.04 -25.68 68.49 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.939 1.295 . . . . 0.0 113.165 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -65.68 -28.84 69.37 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.57 1.148 . . . . 0.0 112.932 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.6 -48.16 4.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.901 1.28 . . . . 0.0 112.234 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.97 73.27 46.14 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.304 1.442 . . . . 0.0 111.832 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -71.77 147.49 50.55 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.666 2.244 . . . . 0.0 110.731 173.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.1 t -53.94 -47.27 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 C-N-CA 124.883 1.273 . . . . 0.0 112.765 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.9 76.74 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.21 -36.89 26.23 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.681 1.134 . . . . 0.0 113.145 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -55.14 151.8 8.8 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.238 1.015 . . . . 0.0 113.259 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -140.93 151.54 44.3 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.927 2.491 . . . . 0.0 107.415 168.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.19 121.12 22.07 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.716 1.606 . . . . 0.0 110.006 -169.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.64 123.21 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.821 1.248 . . . . 0.0 110.844 -169.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -132.38 147.73 52.39 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.97 1.308 . . . . 0.0 111.613 173.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.63 24.39 1.65 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.796 1.239 . . . . 0.0 114.284 -174.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.97 18.12 79.58 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.932 1.729 . . . . 0.0 115.695 -173.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -126.08 137.8 53.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.365 1.866 . . . . 0.0 111.229 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -71.12 126.54 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.458 0.703 . . . . 0.0 110.758 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HB3' HG21 ' A' ' 23' ' ' VAL . 31.2 mt -72.38 133.73 45.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.804 1.642 . . . . 0.0 111.045 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -73.88 124.42 26.1 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.805 0.842 . . . . 0.0 111.973 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.51 -46.32 27.31 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.833 1.653 . . . . 0.0 113.971 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.46 -12.31 52.21 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.397 1.479 . . . . 0.0 114.476 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.1 m -83.2 141.62 31.78 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.858 -1.151 . . . . 0.0 110.726 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.94 150.79 40.61 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.92 -34.64 78.43 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.296 -0.877 . . . . 0.0 112.965 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -55.23 -25.1 31.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.451 1.5 . . . . 0.0 114.619 172.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.87 -20.66 61.77 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.512 1.125 . . . . 0.0 113.082 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -105.89 -6.28 19.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.006 1.723 . . . . 0.0 112.929 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.62 43.48 4.76 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.144 2.578 . . . . 0.0 114.137 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.5 mt -58.25 140.65 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.78 1.632 . . . . 0.0 109.156 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -115.69 141.81 47.58 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.396 1.078 . . . . 0.0 111.936 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.44 -25.52 67.27 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.123 0.969 . . . . 0.0 112.522 175.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -66.4 -21.61 66.22 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.307 2.243 . . . . 0.0 114.254 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -118.56 176.74 5.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.941 1.697 . . . . 0.0 111.225 -174.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -115.98 150.99 36.29 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.98 0.912 . . . . 0.0 112.618 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.76 163.05 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 127.15 2.18 . . . . 0.0 108.709 169.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.3 t -107.34 123.56 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.606 -0.684 . . . . 0.0 110.271 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.19 139.5 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.341 1.456 . . . . 0.0 109.656 172.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.8 ptm -139.75 167.85 21.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.398 1.079 . . . . 0.0 111.096 169.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 CA--C 1.533 0.295 0 C-N-CA 124.424 1.09 . . . . 0.0 110.498 179.315 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.7 -40.54 88.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.502 0.721 . . . . 0.0 112.344 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -67.78 -40.07 84.0 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.469 -0.769 . . . . 0.0 112.276 175.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -59.69 -45.36 92.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.557 1.143 . . . . 0.0 111.713 171.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 46.5 mt -57.42 -51.89 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.894 0.877 . . . . 0.0 111.004 171.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.08 -34.41 76.24 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.913 -1.117 . . . . 0.0 113.491 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -62.94 -43.15 99.59 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.112 -0.993 . . . . 0.0 111.937 170.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -57.81 -46.22 84.99 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.822 0.849 . . . . 0.0 112.306 171.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 47.8 mtt -57.66 -44.4 85.68 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.598 1.159 . . . . 0.0 112.115 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -62.14 -47.12 85.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.042 0.837 . . . . 0.0 112.724 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 62.2 mtm -61.53 -40.22 93.87 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.832 0.742 . . . . 0.0 112.014 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 CA--C 1.54 0.577 0 C-N-CA 124.826 1.25 . . . . 0.0 112.826 171.741 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ptm . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -94.96 74.14 3.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.353 1.061 . . . . 0.0 111.148 -170.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.31 134.25 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.537 1.535 . . . . 0.0 109.691 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 m -79.86 131.22 35.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 169.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.34 148.37 26.46 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 126.408 1.883 . . . . 0.0 110.207 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -138.18 124.71 20.76 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.507 1.523 . . . . 0.0 111.167 173.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -81.94 168.32 18.01 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.316 1.046 . . . . 0.0 111.859 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' B' ' 290' ' ' ALA . 57.3 mt -68.44 -21.82 64.63 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.022 -1.049 . . . . 0.0 113.541 170.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -77.35 5.06 9.37 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.743 1.217 . . . . 0.0 111.783 169.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 63.75 26.23 14.39 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.265 2.626 . . . . 0.0 113.861 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -89.12 144.1 26.37 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.442 1.097 . . . . 0.0 109.933 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.7 p -132.63 136.41 46.48 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 122.139 0.971 . . . . 0.0 113.432 -171.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -150.63 177.87 9.63 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 128.082 2.553 . . . . 0.0 109.884 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -108.59 155.33 20.79 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.102 -0.999 . . . . 0.0 113.396 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.5 mm -128.48 112.03 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 127.263 2.225 . . . . 0.0 108.588 171.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -76.53 105.58 7.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.937 0.495 . . . . 0.0 110.323 169.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tp -124.11 153.37 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 126.231 1.812 . . . . 0.0 111.623 -174.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -85.23 124.8 71.51 Favored Pre-proline 0 CA--C 1.555 1.16 0 O-C-N 121.078 -1.014 . . . . 0.0 111.872 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.26 -22.01 26.09 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.38 2.72 . . . . 0.0 115.51 -175.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -79.99 -21.01 44.16 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.242 0.928 . . . . 0.0 111.855 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -74.91 170.59 15.65 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.21 1.005 . . . . 0.0 110.783 169.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 32.9 p -92.84 175.61 6.74 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 122.285 1.041 . . . . 0.0 113.58 -173.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.426 HG21 ' HB3' ' A' ' 53' ' ' LEU . 81.2 t -58.99 -30.78 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.793 0.837 . . . . 0.0 111.565 173.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -60.1 -32.27 70.82 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.072 -1.017 . . . . 0.0 112.811 170.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.59 -36.06 62.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.181 0.9 . . . . 0.0 112.826 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.24 -54.14 47.22 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.675 -1.266 . . . . 0.0 109.526 169.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -50.18 -45.87 53.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.856 1.262 . . . . 0.0 113.547 169.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -44.07 93.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.738 1.154 . . . . 0.0 112.757 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -69.9 -36.14 75.18 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.436 0.694 . . . . 0.0 112.404 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.52 -50.95 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.908 0.883 . . . . 0.0 110.569 169.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.85 -41.02 85.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.546 0.738 . . . . 0.0 111.419 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.5 m -62.91 -44.41 96.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.605 1.162 . . . . 0.0 112.834 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.34 -54.02 12.21 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.8 1.24 . . . . 0.0 112.42 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -89.98 -16.16 30.44 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.43 1.492 . . . . 0.0 114.085 -170.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.89 154.49 21.8 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.046 2.26 . . . . 0.0 113.221 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -60.84 -26.58 67.45 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.061 0.944 . . . . 0.0 113.083 173.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -60.88 -36.69 79.88 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.736 1.214 . . . . 0.0 112.447 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.24 -52.3 4.88 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.642 1.177 . . . . 0.0 112.086 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -141.13 78.62 18.89 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.908 1.283 . . . . 0.0 112.532 -169.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.39 139.73 29.27 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.044 2.496 . . . . 0.0 110.191 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.7 t -50.64 -47.44 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.705 -1.247 . . . . 0.0 112.469 -176.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -25.22 67.74 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.69 -28.3 9.01 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.052 1.311 . . . . 0.0 113.937 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -58.31 156.18 10.44 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.863 1.265 . . . . 0.0 113.287 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -141.02 148.62 40.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.913 2.485 . . . . 0.0 107.294 167.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.23 120.81 25.05 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 126.231 1.813 . . . . 0.0 109.416 -169.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.69 127.95 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.719 1.208 . . . . 0.0 110.797 -169.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -133.67 143.1 48.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.215 1.406 . . . . 0.0 111.07 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.58 29.68 3.15 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.0 13.97 82.81 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 126.791 2.139 . . . . 0.0 115.833 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -128.57 136.28 50.51 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.161 1.784 . . . . 0.0 111.715 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -70.47 129.45 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.488 0.715 . . . . 0.0 110.808 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.426 ' HB3' HG21 ' A' ' 23' ' ' VAL . 31.2 mt -73.59 128.03 34.37 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.111 1.765 . . . . 0.0 111.016 176.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -69.88 122.87 20.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.119 0.968 . . . . 0.0 111.713 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -47.75 -41.3 22.78 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.066 1.746 . . . . 0.0 114.574 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.25 -14.63 35.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.363 1.465 . . . . 0.0 113.891 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.9 m -84.47 145.56 28.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.328 1.051 . . . . 0.0 110.79 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.71 154.91 36.14 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.24 -33.06 74.9 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.356 -0.84 . . . . 0.0 113.043 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -51.77 -34.58 40.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.562 1.545 . . . . 0.0 113.059 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.02 -16.58 64.1 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.439 1.496 . . . . 0.0 113.879 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -109.22 -4.01 16.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.986 1.715 . . . . 0.0 112.948 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 48.58 36.16 7.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.54 2.336 . . . . 0.0 114.087 177.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.23 136.22 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.487 1.515 . . . . 0.0 110.152 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -100.6 156.46 17.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.242 1.017 . . . . 0.0 112.141 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -81.42 -24.9 36.59 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.872 0.869 . . . . 0.0 113.25 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -84.02 -37.67 21.88 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.699 1.6 . . . . 0.0 112.08 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -74.95 172.18 12.74 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.384 1.074 . . . . 0.0 111.526 172.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -117.54 150.3 39.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.459 1.104 . . . . 0.0 113.367 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.12 155.35 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 127.251 2.22 . . . . 0.0 108.234 169.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.9 t -105.96 131.33 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.71 -0.619 . . . . 0.0 110.048 174.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -116.95 138.35 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.38 1.472 . . . . 0.0 110.343 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -140.34 171.15 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.497 1.519 . . . . 0.0 111.09 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 CA--C 1.537 0.451 0 C-N-CA 125.329 1.452 . . . . 0.0 108.867 172.131 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.3 -43.0 82.79 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.805 0.842 . . . . 0.0 112.858 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.09 -32.57 70.7 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.753 1.16 . . . . 0.0 112.681 174.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -63.34 -43.9 96.41 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.115 0.87 . . . . 0.0 111.106 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 53.2 mt -59.98 -49.51 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.905 1.282 . . . . 0.0 111.051 169.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.87 75.74 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.824 -1.172 . . . . 0.0 113.433 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.54 -43.71 98.36 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.292 1.037 . . . . 0.0 111.645 169.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . 0.448 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -59.15 -47.47 85.19 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.244 1.018 . . . . 0.0 112.898 171.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 46.2 mtt -54.37 -55.1 31.96 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 125.461 1.504 . . . . 0.0 111.281 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -49.64 -47.77 49.7 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.396 1.079 . . . . 0.0 112.679 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 78.6 mtm -59.53 -54.24 48.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.872 0.76 . . . . 0.0 112.319 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 177.657 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -85.28 85.85 7.42 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.465 1.106 . . . . 0.0 111.078 -174.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.25 116.51 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.32 1.048 . . . . 0.0 109.14 171.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.0 m -79.08 140.47 37.86 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.817 -0.552 . . . . 0.0 109.63 170.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.6 mt -116.88 151.14 37.21 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 111.374 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -132.75 138.14 47.08 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.549 1.94 . . . . 0.0 110.198 169.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 p -99.82 167.2 10.68 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.508 1.123 . . . . 0.0 112.127 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.09 -24.08 67.34 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.765 0.826 . . . . 0.0 113.055 170.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -81.33 6.47 14.22 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.69 1.596 . . . . 0.0 112.796 171.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 64.81 23.72 12.72 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.015 2.126 . . . . 0.0 113.722 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -88.92 156.72 18.73 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.482 1.113 . . . . 0.0 109.446 173.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.5 p -135.24 143.84 46.55 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.713 0.768 . . . . 0.0 112.437 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -146.16 178.13 8.46 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.137 2.175 . . . . 0.0 110.193 -175.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -133.54 151.82 51.8 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.019 -1.051 . . . . 0.0 112.008 169.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -134.15 110.56 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 126.713 2.005 . . . . 0.0 108.794 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -73.6 107.35 5.82 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -124.45 152.66 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 127.168 2.187 . . . . 0.0 110.559 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -74.81 114.75 37.65 Favored Pre-proline 0 CA--C 1.55 0.971 0 O-C-N 121.039 -1.038 . . . . 0.0 111.212 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.52 -21.92 29.3 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.855 2.37 . . . . 0.0 113.54 -173.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -67.95 -22.44 65.04 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.328 1.051 . . . . 0.0 112.875 169.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -81.75 -177.92 6.76 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 122.542 1.163 . . . . 0.0 111.75 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 46.5 p -97.16 173.71 7.1 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -169.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.432 HG21 ' HB3' ' A' ' 53' ' ' LEU . 74.0 t -59.36 -39.42 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.413 1.085 . . . . 0.0 110.675 169.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -59.14 -38.2 79.1 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.96 1.304 . . . . 0.0 112.62 170.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.46 94.43 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.309 0.959 . . . . 0.0 113.005 170.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.49 -53.13 58.45 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.699 -1.25 . . . . 0.0 110.888 169.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -53.64 -40.57 65.95 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -49.59 68.73 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.497 1.519 . . . . 0.0 111.936 170.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -69.73 -36.87 76.22 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.743 1.217 . . . . 0.0 112.378 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.35 -51.35 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.779 1.231 . . . . 0.0 110.506 169.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.34 -44.61 84.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.205 1.002 . . . . 0.0 111.626 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -57.46 -50.17 73.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.078 1.351 . . . . 0.0 112.615 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -69.9 -54.31 14.01 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.266 1.026 . . . . 0.0 113.085 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -84.73 -18.86 33.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.966 1.307 . . . . 0.0 114.176 -170.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.38 148.12 21.16 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 127.083 2.278 . . . . 0.0 113.412 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.49 -31.19 71.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.094 1.358 . . . . 0.0 113.516 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -65.58 -35.62 81.35 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.064 0.945 . . . . 0.0 112.614 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.18 -49.94 6.95 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.532 1.133 . . . . 0.0 112.168 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -138.56 77.49 34.02 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.084 1.353 . . . . 0.0 111.643 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.25 148.46 55.58 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.697 2.265 . . . . 0.0 110.418 173.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.68 -45.0 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 124.203 1.001 . . . . 0.0 112.707 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.08 81.28 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.17 -39.33 58.26 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.272 0.939 . . . . 0.0 112.779 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -53.35 141.28 24.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.35 1.06 . . . . 0.0 112.897 172.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -130.0 151.79 50.17 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.643 1.977 . . . . 0.0 108.689 169.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.58 114.65 15.72 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.013 1.725 . . . . 0.0 109.842 -169.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.48 124.62 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.696 1.198 . . . . 0.0 110.353 -170.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.452 ' HB3' HD21 ' A' ' 53' ' ' LEU . 13.1 t80 -131.87 147.4 52.47 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.767 1.227 . . . . 0.0 111.789 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.87 28.39 3.69 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.84 12.92 82.16 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.607 2.051 . . . . 0.0 115.845 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -133.67 140.58 47.15 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.126 1.771 . . . . 0.0 112.227 -178.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -70.41 128.3 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.6 -0.688 . . . . 0.0 110.344 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 48' ' ' TYR . 39.0 mt -72.05 137.62 47.28 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.433 1.493 . . . . 0.0 110.998 176.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -72.83 123.4 23.31 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.536 -0.727 . . . . 0.0 111.067 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -53.43 -41.23 65.85 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -173.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -85.41 -9.93 56.89 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.136 0.974 . . . . 0.0 113.61 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.5 m -85.14 147.64 26.52 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.207 1.403 . . . . 0.0 110.919 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.87 156.9 37.22 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.93 -36.9 84.64 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -64.8 -19.53 65.88 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.285 1.434 . . . . 0.0 114.048 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.76 -18.83 65.61 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.461 1.104 . . . . 0.0 113.45 173.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -113.28 1.54 15.22 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.804 1.642 . . . . 0.0 112.479 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 47.31 36.73 5.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 128.027 2.531 . . . . 0.0 114.06 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.7 mt -56.97 136.27 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.784 1.233 . . . . 0.0 109.312 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -115.9 157.76 24.01 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.114 1.366 . . . . 0.0 111.34 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.64 -23.79 58.73 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.99 -34.85 20.7 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.695 1.198 . . . . 0.0 113.164 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -77.96 174.17 11.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.368 1.067 . . . . 0.0 111.23 172.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -125.3 152.36 44.78 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.62 162.46 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 127.048 2.139 . . . . 0.0 109.177 169.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.2 t -105.12 128.29 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.516 -0.74 . . . . 0.0 110.834 170.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.73 134.91 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 125.765 1.626 . . . . 0.0 109.836 170.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -137.46 168.92 18.68 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.791 1.237 . . . . 0.0 110.686 169.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 CA--C 1.536 0.404 0 C-N-CA 124.365 1.066 . . . . 0.0 110.427 178.39 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.39 -29.81 70.56 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.743 0.817 . . . . 0.0 113.103 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -78.03 -36.81 48.18 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.203 -0.936 . . . . 0.0 111.892 174.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -59.08 -45.42 90.87 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.553 0.741 . . . . 0.0 110.285 170.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 48.5 mt -57.84 -51.54 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.261 1.424 . . . . 0.0 111.437 170.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.59 73.09 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.052 1.296 . . . . 0.0 113.549 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -61.78 -46.64 88.68 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.465 -0.772 . . . . 0.0 111.667 170.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.81 86.94 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 171.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 43.7 mtt -55.45 -57.17 13.01 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.608 1.163 . . . . 0.0 110.65 174.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -53.19 -47.62 68.71 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.233 0.924 . . . . 0.0 112.754 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 67.2 mtm -60.41 -49.15 78.7 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.413 -0.804 . . . . 0.0 112.375 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 179.379 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -111.97 75.55 0.92 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.559 1.144 . . . . 0.0 109.819 -174.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.34 151.17 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.92 1.288 . . . . 0.0 112.36 -178.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.6 m -91.88 138.45 31.54 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 168.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.63 152.87 32.31 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.686 1.994 . . . . 0.0 110.395 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -137.42 141.71 41.65 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.864 1.666 . . . . 0.0 111.458 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 p -106.07 164.33 12.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.548 1.539 . . . . 0.0 111.963 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.97 -24.59 65.17 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.249 -0.907 . . . . 0.0 112.972 173.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -74.14 5.19 4.61 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.801 2.041 . . . . 0.0 112.688 171.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 68.17 20.46 8.89 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.065 2.146 . . . . 0.0 113.281 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -89.37 152.76 21.34 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.113 0.965 . . . . 0.0 110.201 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -136.17 138.02 41.52 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.001 0.92 . . . . 0.0 111.563 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -143.28 -179.05 6.17 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.742 2.017 . . . . 0.0 110.348 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -126.87 152.74 46.64 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.041 -1.037 . . . . 0.0 112.13 170.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -133.44 113.48 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.575 1.95 . . . . 0.0 110.188 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -80.95 100.51 8.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.893 1.677 . . . . 0.0 110.994 169.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tp -128.68 157.37 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.773 2.029 . . . . 0.0 111.668 -173.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.89 123.77 77.57 Favored Pre-proline 0 CA--C 1.556 1.183 0 O-C-N 120.917 -1.114 . . . . 0.0 111.833 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.46 -20.73 26.99 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.909 3.073 . . . . 0.0 114.777 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.32 -19.18 34.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.03 0.932 . . . . 0.0 112.205 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -73.6 170.3 15.48 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.189 0.995 . . . . 0.0 111.411 169.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 55.0 p -86.62 170.92 11.41 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -177.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -59.78 -26.62 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.234 -0.916 . . . . 0.0 111.954 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -61.62 -32.02 72.14 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.439 -1.413 . . . . 0.0 112.685 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.8 67.83 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.166 0.894 . . . . 0.0 112.55 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.5 -52.98 62.71 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.617 -1.302 . . . . 0.0 109.445 169.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.6 -45.89 57.64 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -45.34 89.35 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.581 1.082 . . . . 0.0 112.801 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -67.52 -38.26 83.99 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 123.732 0.813 . . . . 0.0 112.952 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.4 mt -60.59 -48.77 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.138 0.881 . . . . 0.0 110.639 171.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -47.12 82.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.323 1.049 . . . . 0.0 111.574 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.9 t -59.54 -50.28 74.51 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.283 1.433 . . . . 0.0 112.548 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -72.18 -47.92 47.15 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.677 1.191 . . . . 0.0 113.228 -174.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -94.9 -13.66 25.23 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.08 1.352 . . . . 0.0 114.099 -171.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.55 138.29 6.27 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 126.546 2.022 . . . . 0.0 112.711 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -65.52 -19.16 65.81 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -61.61 -39.92 92.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.278 1.031 . . . . 0.0 111.992 171.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.03 -49.12 10.6 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.433 1.093 . . . . 0.0 111.688 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -139.18 80.23 23.95 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.13 1.372 . . . . 0.0 112.341 -170.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.74 141.94 28.09 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.042 2.495 . . . . 0.0 110.451 176.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.66 -43.55 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.573 -1.329 . . . . 0.0 112.806 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.73 61.28 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.6 -25.7 8.51 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 125.282 1.42 . . . . 0.0 114.017 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -59.09 146.32 39.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.85 1.26 . . . . 0.0 112.849 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -129.81 149.44 51.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.574 1.95 . . . . 0.0 108.393 168.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.62 120.07 27.32 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.746 1.618 . . . . 0.0 109.167 -173.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.32 121.9 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.888 1.275 . . . . 0.0 110.55 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -133.08 149.07 52.17 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.661 1.184 . . . . 0.0 111.257 173.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.7 28.3 2.59 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.05 22.16 79.28 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 126.98 2.229 . . . . 0.0 116.132 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -135.2 147.8 49.47 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.39 1.595 . . . . 0.0 112.236 170.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -72.63 123.24 26.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 123.591 0.756 . . . . 0.0 109.679 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -67.31 137.41 56.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.298 1.439 . . . . 0.0 110.784 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -68.46 116.25 8.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 170.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -63.93 -23.87 67.51 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -80.86 -7.81 59.55 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.795 1.238 . . . . 0.0 113.608 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.2 m -98.4 151.38 20.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.474 1.51 . . . . 0.0 111.287 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.44 154.91 36.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -172.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.69 -33.85 76.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.844 0.858 . . . . 0.0 111.926 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -52.52 -38.27 59.31 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.653 1.981 . . . . 0.0 113.596 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.53 -34.21 77.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.278 1.031 . . . . 0.0 112.934 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -97.0 -4.06 40.45 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.186 1.394 . . . . 0.0 112.098 -174.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm 53.05 31.36 11.01 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.272 2.629 . . . . 0.0 113.647 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 mt -60.58 133.68 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 126.258 1.823 . . . . 0.0 110.096 -174.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -101.78 153.44 19.81 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.33 1.052 . . . . 0.0 112.263 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.94 -33.57 65.99 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.859 1.264 . . . . 0.0 113.17 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -77.84 -36.23 50.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.381 1.472 . . . . 0.0 112.013 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -77.0 170.96 15.58 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.785 1.634 . . . . 0.0 111.675 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -120.62 142.46 49.39 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -96.12 163.64 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.774 1.63 . . . . 0.0 110.013 169.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.6 t -112.2 130.46 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.551 -0.718 . . . . 0.0 110.534 172.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.6 p -115.53 137.14 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.663 1.585 . . . . 0.0 110.409 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.82 177.67 7.67 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.492 1.517 . . . . 0.0 111.136 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 125.216 1.406 . . . . 0.0 109.79 174.796 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.39 -36.09 78.63 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.241 -0.912 . . . . 0.0 112.895 175.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.32 -37.45 74.72 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.825 -1.172 . . . . 0.0 112.211 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -60.1 -42.91 95.71 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.163 0.985 . . . . 0.0 111.111 171.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 45.0 mt -57.05 -53.86 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.698 1.199 . . . . 0.0 110.871 170.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.68 77.09 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.722 1.147 . . . . 0.0 113.478 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -60.33 -46.39 90.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.86 1.264 . . . . 0.0 111.661 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.75 83.29 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.473 -0.767 . . . . 0.0 112.967 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 50.1 mtt -55.85 -51.67 66.71 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.697 1.199 . . . . 0.0 111.212 175.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -55.55 -44.18 76.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.125 0.97 . . . . 0.0 113.058 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.7 mtm -62.81 -48.81 77.51 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.726 0.694 . . . . 0.0 111.788 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 177.503 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.609 0.719 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -89.63 78.49 6.98 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 125.367 1.467 . . . . 0.0 111.8 -170.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.25 121.73 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.841 1.656 . . . . 0.0 110.285 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.3 m -79.6 140.71 37.04 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.899 -0.5 . . . . 0.0 109.98 169.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 mt -116.45 153.41 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.836 1.655 . . . . 0.0 111.807 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -134.72 133.49 40.01 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.943 1.697 . . . . 0.0 110.523 169.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 p -91.17 166.28 13.04 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.095 1.358 . . . . 0.0 111.617 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' B' ' 290' ' ' ALA . 34.7 mt -70.94 -14.66 62.45 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.177 -0.952 . . . . 0.0 113.262 172.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -86.67 10.58 15.25 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.009 1.724 . . . . 0.0 112.027 169.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 67.91 16.18 9.6 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.053 2.141 . . . . 0.0 113.953 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -89.39 155.53 19.28 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.417 1.087 . . . . 0.0 110.158 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.1 p -136.27 139.55 42.77 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.638 -0.664 . . . . 0.0 112.721 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -142.66 174.15 10.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.549 1.939 . . . . 0.0 110.74 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -131.45 141.34 49.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.391 1.076 . . . . 0.0 111.896 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mm -132.58 111.8 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.692 1.997 . . . . 0.0 109.454 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -76.21 104.37 6.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.856 0.462 . . . . 0.0 110.626 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.9 tp -119.29 150.18 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 126.609 1.964 . . . . 0.0 111.023 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.93 114.5 33.33 Favored Pre-proline 0 CA--C 1.55 0.969 0 O-C-N 121.162 -0.961 . . . . 0.0 111.368 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.27 -16.7 31.39 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.881 2.387 . . . . 0.0 113.564 -175.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -73.91 -18.55 60.89 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.659 1.583 . . . . 0.0 112.906 170.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -87.02 178.1 7.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.829 1.252 . . . . 0.0 111.985 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 42.5 p -91.21 173.37 7.96 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -173.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 53' ' ' LEU . 77.6 t -59.98 -34.02 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.195 0.998 . . . . 0.0 111.459 173.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.75 -34.19 71.12 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.182 -0.949 . . . . 0.0 112.508 171.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.56 -37.59 74.02 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.077 0.853 . . . . 0.0 112.868 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.19 -53.7 52.7 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.575 -1.328 . . . . 0.0 110.082 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -51.37 -43.07 61.77 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -45.57 92.79 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.565 1.075 . . . . 0.0 112.716 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -68.52 -37.56 80.14 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.488 0.715 . . . . 0.0 112.243 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.4 -51.59 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.369 1.067 . . . . 0.0 110.598 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -46.47 79.79 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.489 1.116 . . . . 0.0 111.602 177.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -59.15 -49.16 78.94 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.955 1.302 . . . . 0.0 112.791 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.88 -58.09 4.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.597 1.159 . . . . 0.0 112.813 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.45 -18.75 54.44 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.955 1.302 . . . . 0.0 113.875 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.66 139.21 6.13 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 126.676 2.084 . . . . 0.0 112.135 -171.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -67.08 -17.16 64.76 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.44 -43.88 97.76 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.6 -0.687 . . . . 0.0 111.353 169.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.99 -46.36 14.09 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.549 1.14 . . . . 0.0 112.09 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -138.06 76.19 39.72 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.491 1.516 . . . . 0.0 111.957 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.45 142.3 44.57 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.622 2.215 . . . . 0.0 110.06 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.3 t -51.92 -46.45 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 121.177 -0.952 . . . . 0.0 112.03 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.47 -17.64 64.76 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.28 -26.16 7.49 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.328 1.442 . . . . 0.0 114.136 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -62.58 141.89 58.26 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.561 1.144 . . . . 0.0 113.262 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -129.94 141.73 50.74 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.743 2.017 . . . . 0.0 107.991 168.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.36 127.37 46.5 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.2 1.8 . . . . 0.0 110.456 -169.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.79 125.86 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.802 1.241 . . . . 0.0 111.212 -169.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -130.95 146.45 52.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.995 1.318 . . . . 0.0 111.89 171.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.23 29.65 3.84 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.783 1.233 . . . . 0.0 114.301 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.51 13.21 83.14 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.998 1.285 . . . . 0.0 115.221 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -125.7 133.77 52.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.79 2.036 . . . . 0.0 111.177 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -69.27 126.48 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 121.687 0.756 . . . . 0.0 111.113 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' HB3' HG21 ' A' ' 23' ' ' VAL . 28.8 mt -69.4 120.05 14.61 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.747 2.019 . . . . 0.0 110.726 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -69.44 124.66 24.48 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.989 0.915 . . . . 0.0 111.55 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.61 -50.43 42.83 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.406 1.882 . . . . 0.0 114.511 -172.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.57 -14.74 59.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.096 1.358 . . . . 0.0 113.806 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.0 m -82.53 149.95 27.22 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.91 1.284 . . . . 0.0 110.8 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.97 155.79 32.42 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.98 -31.33 72.18 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.551 -0.718 . . . . 0.0 112.879 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -48.47 -39.81 24.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.676 1.99 . . . . 0.0 113.135 171.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -65.56 -16.41 63.66 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.768 1.627 . . . . 0.0 114.446 -174.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -114.84 -1.27 13.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.567 1.547 . . . . 0.0 112.503 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm 46.65 39.9 7.7 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.753 2.421 . . . . 0.0 113.719 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 53.6 mt -59.66 137.16 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.471 1.508 . . . . 0.0 109.816 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -103.99 162.81 12.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.027 1.331 . . . . 0.0 111.711 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -82.69 -37.32 24.96 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.225 1.01 . . . . 0.0 112.931 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -78.36 -39.06 40.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.582 1.553 . . . . 0.0 111.52 -176.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -73.95 166.68 22.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.878 1.271 . . . . 0.0 110.347 171.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -116.11 151.33 35.82 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 122.266 1.031 . . . . 0.0 113.703 -176.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.8 158.37 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 127.641 2.377 . . . . 0.0 107.451 169.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.2 t -105.45 124.41 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 121.276 -0.89 . . . . 0.0 110.211 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -104.77 138.01 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.568 1.547 . . . . 0.0 109.624 171.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -138.05 163.34 31.83 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.807 1.243 . . . . 0.0 111.085 170.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.467 0.412 0 C-N-CA 124.674 1.19 . . . . 0.0 110.08 -179.383 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.7 -32.45 73.95 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.286 -0.884 . . . . 0.0 113.03 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.0 -39.74 49.29 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.477 1.111 . . . . 0.0 111.588 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -59.37 -44.85 92.66 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.402 1.081 . . . . 0.0 111.163 169.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 41.1 mt -56.96 -53.45 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.854 1.261 . . . . 0.0 110.911 170.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.03 -33.54 73.45 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.037 1.289 . . . . 0.0 113.434 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -63.68 -45.63 89.21 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.249 1.019 . . . . 0.0 111.684 169.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . 0.438 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -56.69 -47.76 79.16 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.208 1.003 . . . . 0.0 112.713 171.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 43.4 mtt -54.13 -57.81 9.71 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 125.731 1.613 . . . . 0.0 110.801 173.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.76 -41.88 67.64 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.879 1.271 . . . . 0.0 113.577 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.99 -53.34 47.71 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.078 0.853 . . . . 0.0 111.596 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 CA--C 1.538 0.486 0 C-N-CA 125.613 1.565 . . . . 0.0 113.5 176.509 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.81 83.12 7.25 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.979 0.912 . . . . 0.0 111.525 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.06 115.53 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.548 1.139 . . . . 0.0 108.902 169.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -79.29 140.31 37.61 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.968 0.413 . . . . 0.0 109.931 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.1 mt -118.06 153.07 34.34 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.78 1.632 . . . . 0.0 111.956 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -133.28 130.18 38.61 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 126.236 1.814 . . . . 0.0 109.576 168.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.8 p -82.0 169.34 16.86 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.103 1.361 . . . . 0.0 111.726 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -64.55 -19.38 65.6 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -96.39 16.18 19.25 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.031 1.332 . . . . 0.0 111.875 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 61.37 27.37 17.0 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.672 2.389 . . . . 0.0 114.849 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -89.11 154.27 20.3 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.878 0.871 . . . . 0.0 109.464 171.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 63.3 p -135.63 145.86 47.27 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -171.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -147.75 171.52 15.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.951 2.101 . . . . 0.0 110.81 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -122.48 142.76 50.23 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.744 1.218 . . . . 0.0 111.58 169.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.7 mm -126.84 108.26 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 126.925 2.09 . . . . 0.0 108.691 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.7 102.62 2.84 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.895 0.478 . . . . 0.0 110.754 172.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 tp -121.57 150.78 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 126.468 1.907 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.65 119.13 72.29 Favored Pre-proline 0 CA--C 1.552 1.046 0 O-C-N 120.829 -1.17 . . . . 0.0 110.825 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.24 -12.86 28.04 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.033 2.489 . . . . 0.0 114.355 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -87.84 -13.75 41.31 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.035 -1.041 . . . . 0.0 112.583 171.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -80.89 179.63 7.75 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.234 1.014 . . . . 0.0 110.925 169.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.504 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 29.9 p -94.69 173.99 7.33 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -169.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' A' ' 53' ' ' LEU . 88.2 t -61.59 -36.48 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.345 1.058 . . . . 0.0 111.023 170.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.21 -37.01 81.47 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.057 -1.027 . . . . 0.0 112.103 170.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.74 93.94 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 118.942 0.792 . . . . 0.0 112.931 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.37 -54.61 41.5 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.843 -1.161 . . . . 0.0 110.983 169.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -51.45 -41.26 60.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.457 1.103 . . . . 0.0 113.206 171.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -51.28 63.52 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.171 1.388 . . . . 0.0 111.889 172.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -70.19 -35.78 74.17 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.472 0.709 . . . . 0.0 112.597 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.52 -53.81 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.544 1.138 . . . . 0.0 110.078 169.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.3 -46.62 85.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.724 0.81 . . . . 0.0 112.144 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -59.15 -48.55 81.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.482 1.113 . . . . 0.0 112.66 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.92 -53.79 10.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.655 1.182 . . . . 0.0 112.706 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -86.82 -11.93 49.45 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.911 1.284 . . . . 0.0 114.103 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.73 143.92 15.25 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 127.282 2.373 . . . . 0.0 113.965 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -63.71 -28.95 70.24 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.901 1.28 . . . . 0.0 113.962 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.07 -58.05 8.59 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 122.361 1.076 . . . . 0.0 111.505 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.21 -40.4 59.25 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.79 1.636 . . . . 0.0 113.522 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.02 68.34 56.82 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.143 0.977 . . . . 0.0 113.573 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.35 144.47 45.86 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.132 2.555 . . . . 0.0 110.983 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.42 -53.48 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 125.545 1.538 . . . . 0.0 111.91 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.2 -15.68 36.77 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.056 1.343 . . . . 0.0 114.618 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.68 -16.34 42.76 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.957 1.265 . . . . 0.0 114.627 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -81.78 144.41 31.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.234 1.517 . . . . 0.0 112.944 -174.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -128.95 134.46 48.21 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.645 1.978 . . . . 0.0 107.517 168.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.04 125.47 48.41 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.629 1.971 . . . . 0.0 109.888 -169.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.23 127.2 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.577 1.151 . . . . 0.0 111.208 -170.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -132.11 144.08 50.46 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.987 1.315 . . . . 0.0 110.924 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.85 30.07 4.86 Favored 'General case' 0 CA--C 1.556 1.191 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.67 18.34 79.46 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 126.59 2.043 . . . . 0.0 115.409 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -128.15 127.16 42.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.938 2.095 . . . . 0.0 110.738 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -68.12 124.65 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.734 -0.603 . . . . 0.0 110.344 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' HB3' HG21 ' A' ' 23' ' ' VAL . 27.2 mt -68.11 129.06 38.77 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.211 1.804 . . . . 0.0 111.021 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -74.04 123.15 23.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.976 0.911 . . . . 0.0 111.75 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.55 -47.48 19.64 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.868 1.667 . . . . 0.0 114.33 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -81.37 -15.75 54.33 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.4 m -80.22 143.77 33.48 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.089 -1.007 . . . . 0.0 110.766 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.504 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.92 152.25 35.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.46 -33.9 76.58 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.412 -0.805 . . . . 0.0 113.094 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -54.5 -27.52 38.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.071 1.348 . . . . 0.0 114.467 173.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -72.39 -17.36 61.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.935 1.294 . . . . 0.0 113.235 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -108.32 -3.73 18.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.032 1.733 . . . . 0.0 112.707 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt 50.64 32.07 6.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.922 2.489 . . . . 0.0 114.348 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.1 mt -58.13 143.44 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.809 1.644 . . . . 0.0 109.559 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -122.85 158.83 29.44 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.061 1.344 . . . . 0.0 111.458 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -71.96 -28.34 63.38 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.174 0.99 . . . . 0.0 113.563 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -81.38 -36.27 29.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.248 1.419 . . . . 0.0 112.638 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -68.64 173.09 5.43 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.417 1.487 . . . . 0.0 111.358 170.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -130.41 149.92 51.87 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.035 0.922 . . . . 0.0 113.284 171.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.21 163.57 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 127.608 2.363 . . . . 0.0 109.059 170.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.3 t -108.35 133.06 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.538 -0.726 . . . . 0.0 110.666 172.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.68 140.04 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.676 1.591 . . . . 0.0 109.978 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.2 ptm -138.55 156.81 47.16 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.436 1.094 . . . . 0.0 111.574 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.467 0.385 0 C-N-CA 124.727 1.211 . . . . 0.0 109.9 179.106 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.72 -37.26 83.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.089 0.956 . . . . 0.0 112.507 175.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -72.42 -37.71 68.55 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.676 0.79 . . . . 0.0 112.154 173.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -60.12 -45.33 93.35 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.97 0.804 . . . . 0.0 110.392 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.36 -52.48 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.551 1.54 . . . . 0.0 111.201 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.74 -33.85 73.55 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.682 1.128 . . . . 0.0 113.454 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -60.87 -48.33 82.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.959 0.904 . . . . 0.0 111.529 170.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.85 83.89 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.9 mtt -55.62 -52.31 64.24 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.334 1.054 . . . . 0.0 111.769 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.38 -43.58 88.52 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 62.4 mtm -63.61 -44.55 93.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.169 0.895 . . . . 0.0 111.952 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -179.155 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 ttp . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.75 79.24 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.881 0.872 . . . . 0.0 111.329 -171.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.16 133.57 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.304 1.442 . . . . 0.0 109.7 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.3 m -80.02 135.77 36.44 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.787 -0.57 . . . . 0.0 109.818 169.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.86 149.59 30.38 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.101 1.76 . . . . 0.0 110.612 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -138.99 139.41 37.89 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.388 1.875 . . . . 0.0 111.314 173.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -102.51 166.53 10.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.334 1.453 . . . . 0.0 112.348 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 mt -72.07 -13.43 61.59 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 172.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -85.2 6.53 25.5 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.245 1.418 . . . . 0.0 111.09 169.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 61.64 27.14 16.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.004 2.522 . . . . 0.0 113.753 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.33 154.93 19.7 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.582 1.153 . . . . 0.0 110.043 171.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.5 p -136.42 146.08 46.01 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.911 0.884 . . . . 0.0 112.658 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -150.67 -169.26 3.34 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.917 2.087 . . . . 0.0 110.209 176.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.12 149.96 51.11 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.812 -1.18 . . . . 0.0 112.033 170.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mm -126.84 115.72 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.753 2.021 . . . . 0.0 109.029 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -74.52 102.0 4.36 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.95 0.5 . . . . 0.0 110.137 169.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.0 tp -118.44 148.05 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.782 1.633 . . . . 0.0 111.116 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -75.0 114.54 35.91 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.103 0.961 . . . . 0.0 111.385 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.45 -20.61 31.37 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.967 2.444 . . . . 0.0 113.914 -174.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.92 -20.37 61.08 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.739 1.215 . . . . 0.0 112.999 172.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -82.19 178.52 8.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.578 1.151 . . . . 0.0 111.644 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 47.1 p -94.49 173.43 7.62 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -173.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.415 HG21 ' HB3' ' A' ' 53' ' ' LEU . 55.0 t -59.85 -32.21 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.349 1.06 . . . . 0.0 111.641 172.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -59.97 -38.85 83.71 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.759 -1.213 . . . . 0.0 112.054 170.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.83 -35.76 81.59 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 174.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.61 -55.1 39.24 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.098 -1.001 . . . . 0.0 110.791 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -49.93 -44.38 50.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.07 0.948 . . . . 0.0 113.169 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.4 -53.83 32.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.255 1.822 . . . . 0.0 112.082 171.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -69.02 -34.54 75.4 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.499 -0.751 . . . . 0.0 112.897 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.03 -49.16 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 123.852 0.861 . . . . 0.0 110.757 170.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.73 -42.41 88.66 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.072 0.851 . . . . 0.0 111.227 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 t -58.73 -51.34 70.39 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.041 1.336 . . . . 0.0 112.253 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -70.13 -56.19 7.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.748 0.819 . . . . 0.0 113.13 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -84.32 -18.19 37.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.048 1.339 . . . . 0.0 113.66 -171.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.5 136.76 6.15 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.577 2.036 . . . . 0.0 113.079 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -58.46 -21.26 50.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.818 2.447 . . . . 0.0 114.604 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -63.26 -29.25 70.62 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.176 0.99 . . . . 0.0 112.928 170.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.46 -41.14 3.93 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.669 1.587 . . . . 0.0 112.749 -173.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -136.91 70.65 57.29 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 126.063 1.745 . . . . 0.0 111.676 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.72 144.49 49.07 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.728 2.285 . . . . 0.0 110.786 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.83 -45.67 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 125.017 1.327 . . . . 0.0 111.99 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.21 -23.54 67.11 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.66 -25.91 8.36 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.171 1.367 . . . . 0.0 114.18 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -66.02 135.81 55.18 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.415 1.086 . . . . 0.0 113.34 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -119.89 138.24 53.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.882 2.073 . . . . 0.0 106.953 168.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.15 121.83 39.66 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.195 1.798 . . . . 0.0 109.542 -171.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -129.66 128.71 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.922 1.289 . . . . 0.0 111.001 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -134.93 144.53 47.51 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.34 1.456 . . . . 0.0 110.841 173.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.49 33.11 3.75 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.96 10.58 86.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 127.119 2.295 . . . . 0.0 115.987 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -128.61 137.29 51.61 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.064 1.746 . . . . 0.0 112.165 -175.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -75.41 127.03 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.717 0.807 . . . . 0.0 110.642 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.415 ' HB3' HG21 ' A' ' 23' ' ' VAL . 35.1 mt -70.5 131.51 44.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.833 2.053 . . . . 0.0 111.77 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -72.43 119.45 16.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.41 1.084 . . . . 0.0 111.419 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -53.39 -37.68 62.68 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -174.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.03 -15.77 52.5 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.2 m -83.98 148.45 26.88 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.442 1.097 . . . . 0.0 111.081 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -78.19 156.05 30.03 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.04 -32.97 74.75 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.883 0.873 . . . . 0.0 113.315 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.96 -28.04 68.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.716 1.207 . . . . 0.0 113.779 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -67.77 -16.09 63.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.585 1.154 . . . . 0.0 113.172 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -109.31 -0.41 19.12 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.493 1.917 . . . . 0.0 112.526 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 49.52 33.4 5.69 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.824 2.449 . . . . 0.0 114.376 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.6 140.19 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.871 1.269 . . . . 0.0 109.733 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.73 159.03 23.67 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.93 1.292 . . . . 0.0 111.266 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.44 -34.24 76.81 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.123 0.969 . . . . 0.0 112.881 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -76.67 -33.63 58.26 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.985 1.314 . . . . 0.0 112.862 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -72.7 165.38 24.9 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.856 0.862 . . . . 0.0 110.747 171.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -114.64 149.25 36.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.723 0.809 . . . . 0.0 112.359 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.22 155.89 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 126.407 1.883 . . . . 0.0 108.3 169.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.6 t -107.76 121.59 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.353 0.597 . . . . 0.0 109.701 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.83 133.99 47.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 125.037 1.335 . . . . 0.0 109.641 172.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -133.92 163.86 28.58 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.689 1.196 . . . . 0.0 110.446 169.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.465 0.295 0 C-N-CA 124.176 0.99 . . . . 0.0 109.378 179.211 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.16 -34.76 78.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.44 -0.788 . . . . 0.0 112.673 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -70.84 -37.12 73.14 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.104 -0.997 . . . . 0.0 112.5 173.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -59.46 -46.2 89.46 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.478 1.036 . . . . 0.0 110.916 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.91 -55.36 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.993 1.317 . . . . 0.0 111.071 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.63 76.18 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.256 -0.902 . . . . 0.0 113.091 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -61.25 -45.74 93.28 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.464 -0.773 . . . . 0.0 111.631 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.02 90.09 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.082 0.953 . . . . 0.0 113.533 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.9 mtt -57.18 -60.58 3.4 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.931 1.292 . . . . 0.0 110.29 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -50.43 -43.52 54.95 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.261 1.024 . . . . 0.0 112.391 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 39.4 ttm -56.55 -57.24 13.21 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.375 1.07 . . . . 0.0 112.662 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.887 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptm . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -98.24 86.89 3.76 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.035 0.934 . . . . 0.0 110.138 173.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.01 149.12 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.812 -0.555 . . . . 0.0 111.268 173.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.1 m -86.66 134.99 33.57 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 168.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.51 154.94 22.98 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.986 1.714 . . . . 0.0 110.502 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -138.08 125.41 21.79 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.152 1.781 . . . . 0.0 110.946 170.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p -82.63 162.93 21.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.898 0.879 . . . . 0.0 111.893 171.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' B' ' 290' ' ' ALA . 37.8 mt -65.8 -28.11 68.77 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.208 -0.933 . . . . 0.0 112.745 171.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -72.58 8.28 1.5 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.983 1.713 . . . . 0.0 113.448 169.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 71.22 22.53 4.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.875 2.47 . . . . 0.0 114.161 174.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -89.06 119.39 29.53 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.705 0.802 . . . . 0.0 109.833 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 p -109.21 120.56 42.9 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.368 1.067 . . . . 0.0 111.479 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -139.26 -173.29 3.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.308 2.243 . . . . 0.0 110.139 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -123.48 156.94 34.62 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.137 -0.977 . . . . 0.0 112.597 173.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -133.93 113.72 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.516 1.927 . . . . 0.0 109.821 175.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -81.18 102.87 10.59 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.743 1.217 . . . . 0.0 109.445 169.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.8 tp -127.0 154.03 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.576 1.95 . . . . 0.0 111.586 -174.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -79.43 118.57 73.17 Favored Pre-proline 0 CA--C 1.551 1.006 0 O-C-N 121.356 -0.84 . . . . 0.0 111.735 174.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -67.94 -26.65 37.53 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.214 2.609 . . . . 0.0 113.229 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.09 -19.32 60.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.477 1.511 . . . . 0.0 113.093 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -78.32 171.74 14.62 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.265 1.031 . . . . 0.0 111.556 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 62.5 p -93.75 169.21 10.48 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.39 -0.819 . . . . 0.0 112.989 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 53' ' ' LEU . 61.8 t -58.49 -29.91 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.675 1.19 . . . . 0.0 112.784 -175.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -62.6 -23.63 67.15 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.728 -1.233 . . . . 0.0 113.705 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.2 -35.39 59.09 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.168 0.895 . . . . 0.0 112.804 169.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -56.2 -52.6 63.81 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.488 -1.383 . . . . 0.0 109.287 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -50.98 -46.18 61.26 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.196 0.998 . . . . 0.0 113.551 169.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.94 -44.27 91.35 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.802 1.183 . . . . 0.0 112.813 178.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -69.27 -35.75 76.39 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.641 -0.662 . . . . 0.0 112.521 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.07 -46.34 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.898 0.879 . . . . 0.0 111.106 170.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.97 -42.73 85.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.758 0.823 . . . . 0.0 111.224 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 t -63.05 -47.59 82.31 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.475 1.11 . . . . 0.0 112.758 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -64.94 -58.95 4.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.541 1.537 . . . . 0.0 112.854 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -84.77 -15.47 44.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.358 1.463 . . . . 0.0 113.981 -172.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.37 143.04 5.72 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 126.844 2.164 . . . . 0.0 112.314 -171.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -69.5 -14.65 62.98 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -62.31 -41.77 98.81 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.351 0.66 . . . . 0.0 111.045 169.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.24 -48.08 10.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.493 1.117 . . . . 0.0 111.753 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -138.58 75.89 37.09 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.137 1.375 . . . . 0.0 112.349 -173.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.1 141.59 40.17 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.905 2.403 . . . . 0.0 110.086 174.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.7 t -51.43 -46.8 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.717 -1.24 . . . . 0.0 112.1 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -20.56 66.54 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.49 -20.95 10.27 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.431 1.491 . . . . 0.0 114.334 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -66.73 149.87 49.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.667 1.187 . . . . 0.0 113.547 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -136.95 146.12 45.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.047 2.139 . . . . 0.0 108.234 168.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.5 127.12 41.83 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.352 1.861 . . . . 0.0 109.505 -170.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.85 122.42 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.83 1.252 . . . . 0.0 110.58 -169.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -128.71 134.86 48.6 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.991 1.316 . . . . 0.0 111.808 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.91 27.16 4.1 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.589 1.155 . . . . 0.0 113.516 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.04 -9.53 24.88 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.869 2.176 . . . . 0.0 115.205 -172.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -83.23 118.63 23.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.733 1.613 . . . . 0.0 110.095 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mt -64.52 119.47 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 121.346 0.593 . . . . 0.0 110.236 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.483 ' HB3' HG21 ' A' ' 23' ' ' VAL . 28.9 mt -65.93 119.18 10.86 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.433 1.893 . . . . 0.0 110.667 178.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.2 126.3 29.26 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.348 0.659 . . . . 0.0 111.586 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.04 -47.36 22.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.024 1.73 . . . . 0.0 114.475 -175.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -87.99 -1.53 58.05 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.864 1.666 . . . . 0.0 114.258 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -92.41 148.44 22.11 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.836 1.254 . . . . 0.0 110.024 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -79.71 157.17 27.24 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -175.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.54 -29.15 69.16 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.16 -0.962 . . . . 0.0 113.206 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -59.77 -29.65 68.33 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.25 1.42 . . . . 0.0 113.701 173.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -66.86 -16.38 64.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.895 1.278 . . . . 0.0 113.979 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -115.43 1.46 13.68 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.83 1.652 . . . . 0.0 112.456 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 46.02 37.55 3.87 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.132 2.573 . . . . 0.0 114.365 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.8 mt -61.58 142.79 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 125.86 1.664 . . . . 0.0 110.072 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -125.2 155.97 39.19 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.068 1.347 . . . . 0.0 113.001 -173.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -74.64 -29.98 61.46 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.505 1.522 . . . . 0.0 113.974 -176.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.71 -32.66 62.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.24 1.016 . . . . 0.0 112.304 177.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -82.08 177.04 9.04 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.774 1.63 . . . . 0.0 111.35 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -119.66 162.6 18.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.103 1.361 . . . . 0.0 112.501 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.07 157.94 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.869 2.067 . . . . 0.0 109.35 171.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.1 t -107.48 127.51 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.741 -0.599 . . . . 0.0 110.232 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.7 p -112.69 141.4 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.328 1.451 . . . . 0.0 110.275 172.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.4 ptm -138.45 169.14 18.31 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.175 1.39 . . . . 0.0 111.509 173.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.534 0.343 0 C-N-CA 125.51 1.524 . . . . 0.0 108.627 173.615 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -62.28 -42.44 99.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.606 1.162 . . . . 0.0 112.761 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.22 -34.82 71.17 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.366 -0.833 . . . . 0.0 112.101 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -60.91 -46.72 89.53 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.793 1.237 . . . . 0.0 111.269 172.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.37 -51.8 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.835 1.654 . . . . 0.0 111.238 170.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.53 -34.36 75.41 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.98 -1.075 . . . . 0.0 113.333 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -61.02 -43.38 98.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.227 1.011 . . . . 0.0 111.841 170.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . 0.424 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -59.73 -48.16 82.8 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.993 0.917 . . . . 0.0 112.61 171.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 50.6 mtt -53.59 -51.37 63.24 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.015 1.326 . . . . 0.0 112.112 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -55.32 -43.25 74.75 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.732 1.151 . . . . 0.0 113.404 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 75.3 mtm -66.23 -44.29 84.19 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.881 -0.512 . . . . 0.0 111.935 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 125.025 1.33 . . . . 0.0 113.383 174.117 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 ttp . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 121.507 0.67 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -86.62 82.55 7.86 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.711 1.204 . . . . 0.0 111.611 -173.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -67.61 134.96 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.827 1.251 . . . . 0.0 109.759 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 m -80.04 132.43 35.99 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.457 -0.777 . . . . 0.0 109.846 169.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.18 148.29 28.06 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.164 1.385 . . . . 0.0 110.841 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -136.44 127.5 27.84 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.95 1.7 . . . . 0.0 111.385 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -87.53 164.38 16.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.298 1.439 . . . . 0.0 111.643 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.66 -19.38 63.61 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.921 -1.112 . . . . 0.0 113.518 171.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -76.0 5.45 6.58 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.815 1.246 . . . . 0.0 111.858 169.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 64.11 24.59 13.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.327 2.651 . . . . 0.0 113.692 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -88.93 151.69 22.17 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.123 0.969 . . . . 0.0 109.726 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.1 p -131.89 141.43 49.37 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.042 0.925 . . . . 0.0 112.832 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -146.69 -173.11 4.13 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.724 2.41 . . . . 0.0 109.626 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -134.27 157.98 44.92 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.872 -1.142 . . . . 0.0 111.578 169.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -135.07 115.46 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.592 1.957 . . . . 0.0 108.899 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -79.51 97.84 6.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.064 0.546 . . . . 0.0 110.355 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 18' ' ' ASP . 4.2 tp -113.59 148.32 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.669 1.988 . . . . 0.0 111.526 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' H ' HD12 ' A' ' 17' ' ' ILE . 15.6 t0 -77.97 116.34 57.78 Favored Pre-proline 0 CA--C 1.555 1.168 0 O-C-N 121.148 -0.97 . . . . 0.0 111.515 173.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.78 -13.74 24.34 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.745 2.963 . . . . 0.0 114.991 -175.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -84.44 -17.0 40.63 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.655 1.116 . . . . 0.0 112.54 174.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -74.47 168.31 19.99 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.092 0.949 . . . . 0.0 111.474 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.3 p -81.21 171.03 15.37 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.295 -0.878 . . . . 0.0 113.114 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.93 -28.66 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.565 1.146 . . . . 0.0 112.062 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -46.95 -47.93 21.62 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.341 0.973 . . . . 0.0 110.948 169.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.31 -34.65 77.81 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 tp -56.53 -55.7 30.56 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.517 -1.364 . . . . 0.0 109.775 169.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -56.0 -40.8 73.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.208 1.403 . . . . 0.0 114.091 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.8 -40.56 92.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.431 1.093 . . . . 0.0 112.551 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -38.8 86.74 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.272 0.629 . . . . 0.0 112.094 174.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.26 -48.95 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.756 0.822 . . . . 0.0 110.991 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.15 -43.04 82.13 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.472 0.709 . . . . 0.0 111.202 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.2 m -63.3 -46.96 84.31 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.814 1.245 . . . . 0.0 112.944 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -68.88 -57.81 5.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.018 1.327 . . . . 0.0 112.245 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -81.49 -16.88 50.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.714 1.206 . . . . 0.0 113.777 -172.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.7 143.38 7.64 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.66 2.076 . . . . 0.0 112.073 -171.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -68.52 -14.14 62.8 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.39 -42.03 98.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.498 -0.751 . . . . 0.0 111.092 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.06 -51.29 8.16 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.794 1.238 . . . . 0.0 112.091 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -138.26 70.3 47.54 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 125.113 1.365 . . . . 0.0 112.467 -171.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -67.74 138.01 43.75 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.174 2.583 . . . . 0.0 109.138 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -48.07 -44.99 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 CA-C-N 121.051 1.75 . . . . 0.0 113.465 -172.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.62 79.38 Favored 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.13 -35.89 47.69 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.915 1.245 . . . . 0.0 113.553 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -58.76 139.06 56.76 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.357 2.263 . . . . 0.0 110.993 172.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -130.24 154.53 47.49 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.593 1.557 . . . . 0.0 110.322 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.29 123.54 28.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.804 2.041 . . . . 0.0 110.736 -169.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.85 124.87 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.191 1.397 . . . . 0.0 110.408 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HB3' HD21 ' A' ' 53' ' ' LEU . 64.9 t80 -132.47 141.92 49.01 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.309 1.444 . . . . 0.0 111.91 175.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.45 25.26 1.29 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.36 1.464 . . . . 0.0 114.21 -173.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.45 13.86 82.78 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 126.117 1.818 . . . . 0.0 116.024 -174.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -122.17 141.76 51.11 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.193 1.497 . . . . 0.0 111.705 174.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.28 124.18 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 123.76 0.824 . . . . 0.0 110.583 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 48' ' ' TYR . 31.6 mt -68.4 119.07 12.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.648 1.579 . . . . 0.0 110.745 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -68.3 120.49 14.51 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.936 0.895 . . . . 0.0 110.689 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.28 -29.18 57.63 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -175.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -88.13 -18.61 28.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.741 1.216 . . . . 0.0 113.478 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.9 m -81.71 153.83 26.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.188 1.395 . . . . 0.0 110.92 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -81.0 156.46 25.9 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.879 -1.138 . . . . 0.0 113.871 -177.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.93 -34.9 79.51 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.767 0.827 . . . . 0.0 112.452 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -52.03 -33.63 39.49 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.642 1.977 . . . . 0.0 113.802 173.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.64 -18.29 64.91 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.993 1.317 . . . . 0.0 114.088 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.93 -3.12 14.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.241 1.416 . . . . 0.0 112.385 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 51.19 33.01 8.74 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.613 2.365 . . . . 0.0 114.355 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 64' ' ' ILE . 8.8 mt -58.45 144.28 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.535 1.534 . . . . 0.0 109.065 172.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -133.49 159.74 39.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.112 1.365 . . . . 0.0 111.238 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.19 -32.09 72.69 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.684 0.793 . . . . 0.0 113.004 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -70.33 -17.18 63.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.627 1.571 . . . . 0.0 113.953 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -103.96 165.82 10.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.12 1.368 . . . . 0.0 111.554 -175.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -108.4 159.75 16.42 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.22 1.008 . . . . 0.0 112.153 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.79 157.25 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 127.07 2.148 . . . . 0.0 108.701 170.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -108.68 129.81 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 122.845 0.458 . . . . 0.0 110.142 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -118.72 140.22 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.444 1.497 . . . . 0.0 110.905 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 ptm -141.81 171.67 13.75 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.751 1.62 . . . . 0.0 111.646 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 124.727 1.211 . . . . 0.0 110.254 173.637 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.97 -41.39 82.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.503 1.121 . . . . 0.0 112.669 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -64.44 -42.47 95.96 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.385 -0.822 . . . . 0.0 112.074 174.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -60.98 -44.97 96.59 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.852 0.861 . . . . 0.0 112.11 172.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.01 -51.56 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.818 0.847 . . . . 0.0 111.139 170.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.13 74.52 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.983 -1.073 . . . . 0.0 113.492 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -62.92 -43.69 98.1 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.202 -0.936 . . . . 0.0 111.83 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.54 85.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.613 0.765 . . . . 0.0 112.232 172.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.3 mtt -56.86 -49.44 75.48 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.826 1.25 . . . . 0.0 111.857 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -58.41 -43.26 88.55 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.85 0.75 . . . . 0.0 112.665 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 54.8 mtm -63.53 -48.55 77.06 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.98 0.809 . . . . 0.0 111.63 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 125.813 1.645 . . . . 0.0 114.19 174.872 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 ttp . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.34 78.41 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.635 1.174 . . . . 0.0 110.935 -171.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.3 134.4 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.9 1.28 . . . . 0.0 109.928 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.2 m -81.28 133.04 35.37 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.75 150.66 27.28 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.687 1.595 . . . . 0.0 110.513 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -138.78 139.73 38.36 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.726 1.611 . . . . 0.0 111.555 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 p -103.61 164.42 11.68 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.306 1.442 . . . . 0.0 112.221 -176.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' B' ' 290' ' ' ALA . 20.7 mt -69.84 -18.87 63.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 172.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -81.87 9.39 8.21 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.967 1.707 . . . . 0.0 112.677 169.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 65.49 22.39 11.84 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.296 2.238 . . . . 0.0 114.247 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -89.13 150.66 22.61 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.665 0.786 . . . . 0.0 109.668 174.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.7 p -132.85 138.06 46.92 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.804 0.842 . . . . 0.0 111.61 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -142.63 -175.86 4.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.814 2.046 . . . . 0.0 110.165 -173.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 151.22 52.08 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.199 -0.938 . . . . 0.0 111.777 169.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 mm -133.78 108.88 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 126.853 2.061 . . . . 0.0 108.996 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -77.93 95.86 4.88 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.968 0.507 . . . . 0.0 110.097 170.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -114.08 148.11 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.688 1.995 . . . . 0.0 110.723 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.91 120.72 82.91 Favored Pre-proline 0 CA--C 1.555 1.152 0 O-C-N 120.985 -1.072 . . . . 0.0 111.004 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.8 -14.33 17.41 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.264 2.643 . . . . 0.0 114.876 -172.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.07 -22.39 49.13 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.38 0.991 . . . . 0.0 111.25 169.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.2 179.12 3.49 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.017 1.727 . . . . 0.0 112.741 169.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 43.7 p -101.65 174.53 5.92 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -169.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 53' ' ' LEU . 61.7 t -63.02 -33.69 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.794 0.838 . . . . 0.0 111.2 172.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.45 -39.86 89.05 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.999 -1.063 . . . . 0.0 111.483 169.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.83 90.28 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 172.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.5 -55.47 28.78 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.652 -1.28 . . . . 0.0 110.78 169.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -50.82 -42.25 58.22 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.889 0.876 . . . . 0.0 113.345 170.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -49.84 75.53 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.44 1.096 . . . . 0.0 112.409 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -65.14 -37.57 87.85 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.7 0.8 . . . . 0.0 112.573 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.94 -49.38 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.33 0.968 . . . . 0.0 110.741 171.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.24 -43.97 92.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.808 0.843 . . . . 0.0 111.817 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -60.52 -52.99 62.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.564 1.546 . . . . 0.0 112.379 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -75.1 -49.87 18.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.938 1.295 . . . . 0.0 113.081 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -87.3 -17.45 32.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.713 1.205 . . . . 0.0 113.672 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.08 131.71 5.9 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.427 1.965 . . . . 0.0 113.316 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -56.94 -21.35 29.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.975 2.51 . . . . 0.0 114.523 173.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.29 -32.0 69.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.285 1.434 . . . . 0.0 112.846 169.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.02 -36.49 4.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.436 1.495 . . . . 0.0 113.019 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -136.5 71.32 59.38 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.614 1.566 . . . . 0.0 112.074 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.35 143.88 44.48 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.538 2.159 . . . . 0.0 110.535 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -51.08 -45.96 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 124.756 1.222 . . . . 0.0 111.993 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.6 -21.09 66.13 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.48 -24.93 9.04 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.981 1.277 . . . . 0.0 113.849 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -67.7 149.26 50.22 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.737 1.215 . . . . 0.0 113.557 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -136.25 144.93 45.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.448 2.299 . . . . 0.0 108.388 168.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.1 125.32 42.36 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.446 1.498 . . . . 0.0 110.428 -169.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mp -132.06 120.36 43.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.152 1.381 . . . . 0.0 110.216 -169.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -127.65 148.9 50.39 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.538 1.135 . . . . 0.0 111.328 170.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.69 31.36 2.99 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.848 1.259 . . . . 0.0 113.501 -174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.43 16.93 74.01 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.123 1.82 . . . . 0.0 116.244 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -128.28 143.29 51.01 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.584 1.692 . . . . 0.0 112.364 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -71.97 127.24 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 124.171 0.988 . . . . 0.0 110.444 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HB3' HG21 ' A' ' 23' ' ' VAL . 45.4 mt -76.54 137.51 39.63 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.534 1.533 . . . . 0.0 111.755 -177.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -73.54 120.54 19.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.362 1.065 . . . . 0.0 110.808 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -53.63 -38.42 64.04 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -80.17 -20.31 45.11 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.6 m -77.71 142.59 38.67 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.196 -0.94 . . . . 0.0 110.885 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -74.67 154.65 38.38 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 -177.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.54 -31.36 72.03 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.314 -0.866 . . . . 0.0 113.289 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -47.94 -40.94 23.56 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.194 1.797 . . . . 0.0 112.858 170.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.42 -19.52 65.82 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.615 1.566 . . . . 0.0 113.775 -174.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -107.73 -3.02 19.53 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.057 1.743 . . . . 0.0 112.958 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt 44.63 38.32 2.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.336 2.655 . . . . 0.0 115.401 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 54.7 mt -57.32 138.68 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.62 1.568 . . . . 0.0 109.74 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -106.83 157.0 18.08 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.581 1.152 . . . . 0.0 111.288 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -73.17 -33.41 65.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.721 0.808 . . . . 0.0 112.744 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.71 -34.82 34.24 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.823 1.649 . . . . 0.0 112.513 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -68.23 162.95 23.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.649 0.78 . . . . 0.0 109.877 169.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -117.18 140.91 48.94 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.646 0.736 . . . . 0.0 112.649 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.5 160.38 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.657 1.583 . . . . 0.0 109.039 170.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -110.46 122.27 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.394 0.616 . . . . 0.0 110.091 172.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -105.81 138.15 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 125.117 1.367 . . . . 0.0 109.573 170.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.6 ptm -132.49 159.89 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.529 1.132 . . . . 0.0 110.581 169.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 124.841 1.257 . . . . 0.0 109.065 176.267 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -68.32 -38.15 81.29 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.791 0.836 . . . . 0.0 112.982 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -67.66 -40.62 84.49 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.946 -1.096 . . . . 0.0 112.248 173.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.24 -43.54 95.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.4 1.08 . . . . 0.0 111.888 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 40.3 mt -55.93 -53.4 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.172 0.989 . . . . 0.0 110.72 169.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.79 -35.03 75.44 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.648 1.113 . . . . 0.0 113.236 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -59.68 -47.6 85.0 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.366 1.067 . . . . 0.0 111.283 170.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 290' ' ' ALA . . . . . 0.425 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -60.15 -41.71 93.33 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.235 1.014 . . . . 0.0 113.242 172.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.5 mtt -60.1 -52.84 63.64 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.142 1.377 . . . . 0.0 111.954 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -54.6 -48.37 72.27 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.748 0.819 . . . . 0.0 111.859 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 27.8 ttm -56.82 -49.23 76.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.206 1.002 . . . . 0.0 111.638 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 CA--C 1.535 0.398 0 C-N-CA 126.994 2.118 . . . . 0.0 114.985 177.811 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 ttp . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -92.29 78.66 5.09 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 124.439 1.095 . . . . 0.0 111.264 -170.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.54 131.31 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.006 1.322 . . . . 0.0 109.489 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.7 m -79.9 133.71 36.25 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 169.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.1 148.54 27.69 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.986 1.314 . . . . 0.0 110.604 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -137.65 140.18 40.71 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.1 1.76 . . . . 0.0 111.148 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 p -103.55 167.91 9.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.775 1.23 . . . . 0.0 112.29 -176.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' B' ' 290' ' ' ALA . 38.7 mt -66.39 -26.82 67.43 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 172.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -75.66 3.56 9.42 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.118 1.367 . . . . 0.0 112.65 169.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 59.55 33.12 22.03 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.607 2.363 . . . . 0.0 114.085 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -89.05 153.31 21.1 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.633 0.773 . . . . 0.0 109.115 169.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 p -136.06 139.97 43.45 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.353 0.661 . . . . 0.0 112.777 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -143.61 -175.46 4.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.35 2.26 . . . . 0.0 109.916 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -131.71 153.91 49.55 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.999 -1.063 . . . . 0.0 111.83 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.5 mm -133.81 109.36 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 126.771 2.028 . . . . 0.0 108.899 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -78.64 95.21 5.2 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.795 169.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -114.16 148.98 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.599 1.96 . . . . 0.0 111.228 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -75.26 114.22 33.3 Favored Pre-proline 0 CA--C 1.55 0.973 0 O-C-N 121.243 -0.911 . . . . 0.0 111.808 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -69.44 -13.02 34.8 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.362 2.708 . . . . 0.0 112.812 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.36 -21.01 66.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.039 1.736 . . . . 0.0 112.705 169.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -97.99 175.53 6.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.687 1.595 . . . . 0.0 112.775 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 64.0 p -86.33 172.38 10.48 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.046 0.938 . . . . 0.0 113.389 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.56 -31.15 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.248 1.019 . . . . 0.0 111.95 174.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -56.12 -35.11 66.73 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.897 -1.127 . . . . 0.0 112.755 170.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.17 -37.17 72.19 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.92 0.782 . . . . 0.0 112.747 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.4 tp -56.01 -53.12 60.76 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.758 -1.214 . . . . 0.0 110.19 169.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -51.26 -44.59 61.82 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.627 1.171 . . . . 0.0 113.078 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -49.22 77.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.952 0.901 . . . . 0.0 112.376 174.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -61.65 -39.94 93.14 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.9 mt -62.25 -48.05 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.204 0.911 . . . . 0.0 110.342 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.94 -43.26 95.1 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.501 0.591 . . . . 0.0 111.815 174.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 t -58.01 -48.82 78.91 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.461 1.504 . . . . 0.0 112.412 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -73.78 -50.53 20.13 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.027 1.331 . . . . 0.0 112.965 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -89.5 -16.47 30.68 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.803 1.241 . . . . 0.0 114.088 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.14 156.04 25.42 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 126.461 1.981 . . . . 0.0 113.148 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.51 -26.4 68.69 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.805 1.242 . . . . 0.0 113.219 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -65.33 -41.98 93.42 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.81 1.244 . . . . 0.0 112.329 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.14 -54.16 5.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.541 1.136 . . . . 0.0 112.022 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -141.01 82.5 14.91 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 124.95 1.3 . . . . 0.0 111.804 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.68 151.71 64.0 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.323 2.015 . . . . 0.0 110.009 170.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.6 t -57.84 -45.47 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 120.26 -1.525 . . . . 0.0 111.264 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.37 -18.02 63.74 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.93 -22.24 6.36 Favored Glycine 0 N--CA 1.475 1.254 0 C-N-CA 125.076 1.322 . . . . 0.0 115.014 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -80.04 151.87 29.69 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 118.729 1.264 . . . . 0.0 112.507 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -127.77 150.45 49.8 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.384 1.874 . . . . 0.0 110.027 169.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -123.17 124.07 42.22 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 126.657 1.983 . . . . 0.0 110.507 -169.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.28 126.19 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.162 1.385 . . . . 0.0 110.41 -171.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -132.38 143.57 49.93 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.74 1.216 . . . . 0.0 111.498 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 46.97 35.47 3.34 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.682 1.193 . . . . 0.0 114.206 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.27 12.27 84.32 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.915 2.198 . . . . 0.0 116.147 -177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -128.75 133.37 48.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.238 1.815 . . . . 0.0 111.725 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -68.72 128.06 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.582 0.753 . . . . 0.0 110.721 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.0 mt -72.25 125.5 27.48 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.999 1.72 . . . . 0.0 111.272 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -68.67 118.9 12.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.989 0.916 . . . . 0.0 110.34 172.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.47 -33.51 63.73 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -83.41 -17.31 42.64 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.301 1.04 . . . . 0.0 113.546 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.1 m -82.73 151.5 26.16 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.88 1.272 . . . . 0.0 111.02 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.87 157.93 32.71 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.51 -35.39 80.72 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.864 0.866 . . . . 0.0 112.976 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -61.06 -27.88 68.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.299 1.44 . . . . 0.0 113.887 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -64.91 -18.01 64.84 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.846 1.259 . . . . 0.0 113.947 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.32 0.64 15.76 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.624 1.57 . . . . 0.0 112.367 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp 45.57 42.29 7.92 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.902 2.481 . . . . 0.0 113.427 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.0 mt -58.54 129.93 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.129 1.372 . . . . 0.0 110.174 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -99.46 157.27 16.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.237 1.015 . . . . 0.0 111.614 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -76.45 -38.46 55.39 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.835 0.854 . . . . 0.0 112.812 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -78.74 -34.35 45.87 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.155 1.382 . . . . 0.0 112.394 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -74.3 169.76 16.98 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.825 0.45 . . . . 0.0 110.078 169.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -118.76 143.88 46.62 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -92.43 154.8 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.662 1.585 . . . . 0.0 107.4 168.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.2 t -106.89 132.05 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.727 -0.608 . . . . 0.0 109.824 172.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.49 136.7 53.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 125.34 1.456 . . . . 0.0 109.838 171.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -132.1 162.03 31.83 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.956 1.302 . . . . 0.0 111.133 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p -133.98 128.84 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.329 1.451 . . . . 0.0 109.419 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.2 p -75.93 165.09 25.49 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . 0.355 98.2 mttt 52.73 -96.08 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 128.61 2.764 . . . . 0.0 114.37 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -52.65 157.85 6.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 CA-C-N 125.016 2.827 . . . . 0.0 116.839 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -138.66 0.2 2.0 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.957 2.103 . . . . 0.0 115.254 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.1 142.68 54.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.659 1.184 . . . . 0.0 112.295 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -141.0 160.4 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.961 1.704 . . . . 0.0 111.636 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.8 m -77.47 81.2 3.94 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.191 1.396 . . . . 0.0 112.241 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 p -64.52 145.51 98.48 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.214 1.006 . . . . 0.0 112.42 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.46 173.62 14.19 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.564 2.843 . . . . 0.0 112.809 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -139.46 162.67 50.21 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.878 1.671 . . . . 0.0 111.767 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -55.74 93.6 0.05 OUTLIER 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 125.054 3.836 . . . . 0.0 115.216 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.74 -22.03 66.25 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.62 1.168 . . . . 0.0 113.798 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -58.64 -21.31 53.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.969 1.308 . . . . 0.0 114.051 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.7 tp -52.65 -30.0 29.34 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.369 1.468 . . . . 0.0 113.475 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.04 -13.24 57.42 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.199 1.4 . . . . 0.0 114.723 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -135.13 -43.05 0.72 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.657 1.183 . . . . 0.0 113.559 174.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . 0.266 26.8 p-80 45.41 22.75 0.1 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 129.365 3.066 . . . . 0.0 116.437 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -137.49 166.69 23.26 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 128.319 2.648 . . . . 0.0 110.319 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -138.71 163.77 31.28 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.593 1.557 . . . . 0.0 112.73 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -70.77 -26.23 63.25 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.429 1.092 . . . . 0.0 113.52 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 125.9 1.68 . . . . 0.0 112.085 176.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 18.8 m -64.69 -8.9 16.35 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -171.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 173.15 0.79 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.61 1.564 . . . . 0.0 114.093 173.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 25.3 ptp -61.46 -14.43 28.68 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . 0.258 1.1 t 54.41 -11.59 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 130.89 3.676 . . . . 0.0 118.832 175.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 41.3 pt -66.19 167.96 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.679 1.591 . . . . 0.0 112.634 170.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 8.1 t -135.61 178.85 6.72 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.706 1.602 . . . . 0.0 112.187 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -113.5 101.47 9.39 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.36 1.864 . . . . 0.0 111.44 -171.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -70.29 2.53 3.7 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.524 1.53 . . . . 0.0 113.955 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.36 -10.1 30.37 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.543 2.337 . . . . 0.0 114.691 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -124.1 166.64 15.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.828 1.651 . . . . 0.0 112.829 -171.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 174.16 176.29 42.44 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.69 1.138 . . . . 0.0 114.124 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -69.62 103.78 2.2 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.874 1.67 . . . . 0.0 111.625 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 24.1 p -71.81 -60.76 2.06 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.493 1.517 . . . . 0.0 112.769 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -98.91 99.83 2.2 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.094 1.807 . . . . 0.0 112.407 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.22 150.36 42.25 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 124.199 0.999 . . . . 0.0 112.774 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -60.17 167.96 6.82 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.611 2.874 . . . . 0.0 114.639 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -82.55 56.69 3.41 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.114 1.366 . . . . 0.0 108.994 168.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 15.5 mt 68.79 -8.66 0.62 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 129.965 3.306 . . . . 0.0 116.325 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 47.1 m -58.01 -29.84 65.61 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -169.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 12.2 m -100.24 -7.72 24.32 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -97.07 136.08 38.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.268 1.027 . . . . 0.0 113.598 -169.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 61.5 p -66.71 169.92 7.17 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.752 0.821 . . . . 0.0 111.225 169.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.86 -40.78 73.38 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.78 -1.2 . . . . 0.0 111.869 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.54 -42.15 98.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.625 1.17 . . . . 0.0 112.929 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.51 -40.19 77.11 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.174 -0.953 . . . . 0.0 112.586 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.26 -44.14 95.54 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.025 0.93 . . . . 0.0 111.277 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 52.7 mt -56.72 -52.98 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.671 1.188 . . . . 0.0 111.386 170.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.49 -34.43 74.05 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.864 1.211 . . . . 0.0 113.243 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -62.51 -45.7 91.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.206 1.002 . . . . 0.0 111.553 169.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . 0.429 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -56.26 -46.09 79.8 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.102 0.961 . . . . 0.0 112.912 171.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.1 mtt -56.02 -58.56 7.41 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 125.596 1.559 . . . . 0.0 111.007 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -52.17 -42.69 63.65 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.74 0.816 . . . . 0.0 112.915 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 74.0 mtm -59.72 -56.6 19.85 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.211 0.914 . . . . 0.0 112.414 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 79.0 p -64.14 -35.9 82.28 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.1 -47.23 86.76 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.713 2.005 . . . . 0.0 111.068 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -68.1 -38.8 82.71 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.449 -0.782 . . . . 0.0 112.151 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -57.38 -38.97 89.62 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.225 0.917 . . . . 0.0 113.28 169.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -68.89 1.82 3.09 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.406 1.882 . . . . 0.0 115.175 172.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 86.09 17.74 0.11 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 128.929 2.892 . . . . 0.0 113.768 169.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -68.65 -4.87 17.15 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 70.53 32.46 67.72 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 120.699 -1.251 . . . . 0.0 114.95 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 64.82 14.49 9.23 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.663 1.985 . . . . 0.0 114.556 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -62.41 161.1 12.22 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 120.732 -1.23 . . . . 0.0 112.872 171.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.84 -15.2 54.85 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.59 1.156 . . . . 0.0 113.366 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 48.7 m -68.32 94.01 0.51 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.5 1.92 . . . . 0.0 112.393 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -67.95 -14.51 63.02 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.283 1.833 . . . . 0.0 113.054 173.033 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttp . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -96.21 83.11 3.54 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.379 1.072 . . . . 0.0 110.5 -175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.17 136.03 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.358 1.463 . . . . 0.0 110.186 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.9 m -82.39 132.65 35.21 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.768 -0.583 . . . . 0.0 109.486 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.71 149.54 28.02 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.586 1.554 . . . . 0.0 111.011 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -138.03 136.73 37.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.113 1.765 . . . . 0.0 111.296 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 p -99.4 164.63 12.03 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.264 1.426 . . . . 0.0 111.696 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -68.09 -15.74 63.72 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -81.63 6.28 15.58 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.737 1.215 . . . . 0.0 111.889 169.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 62.57 23.49 13.96 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 128.07 2.548 . . . . 0.0 113.984 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -86.52 152.71 22.41 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.746 0.818 . . . . 0.0 109.566 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -132.45 144.8 50.73 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 122.015 0.912 . . . . 0.0 112.957 -177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -146.05 -174.98 4.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.825 2.45 . . . . 0.0 109.864 -172.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 153.39 50.31 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.825 -1.172 . . . . 0.0 112.133 169.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 mm -135.74 113.39 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 126.385 1.874 . . . . 0.0 109.84 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -75.77 97.96 4.0 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.091 1.756 . . . . 0.0 110.558 169.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.7 tp -124.28 151.68 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.943 1.697 . . . . 0.0 111.884 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.26 114.72 49.4 Favored Pre-proline 0 CA--C 1.55 0.966 0 O-C-N 121.282 -0.886 . . . . 0.0 111.351 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -72.68 -16.55 26.7 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.123 2.549 . . . . 0.0 114.185 -172.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -75.41 -18.98 59.78 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.966 1.306 . . . . 0.0 112.905 171.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.78 172.09 14.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.188 0.995 . . . . 0.0 111.695 171.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 29.9 p -89.74 173.86 8.04 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 122.564 1.173 . . . . 0.0 113.502 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 53' ' ' LEU . 76.9 t -56.12 -29.51 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.503 1.521 . . . . 0.0 112.497 175.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -57.62 -37.66 73.66 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.37 1.068 . . . . 0.0 112.238 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.14 -36.55 66.68 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.792 0.837 . . . . 0.0 112.956 174.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.38 -55.23 33.95 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.553 -1.342 . . . . 0.0 110.376 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -51.01 -44.24 60.97 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.818 1.247 . . . . 0.0 113.491 170.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -47.17 83.17 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.414 1.006 . . . . 0.0 112.411 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.14 -36.92 77.97 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.429 0.691 . . . . 0.0 112.623 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.3 mt -59.54 -51.27 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.005 0.922 . . . . 0.0 110.806 170.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.03 -46.52 88.0 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.453 0.701 . . . . 0.0 111.619 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.3 t -57.44 -46.0 84.08 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.74 1.216 . . . . 0.0 112.754 176.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.48 -56.33 7.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.54 1.136 . . . . 0.0 112.749 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.22 -18.35 30.51 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.47 154.63 30.89 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.872 2.177 . . . . 0.0 113.24 -175.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -66.18 -30.23 70.66 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.704 1.202 . . . . 0.0 113.646 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.49 -34.2 76.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.788 0.722 . . . . 0.0 112.692 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.17 -56.33 4.66 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.824 0.85 . . . . 0.0 111.609 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -142.77 81.03 13.53 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.041 1.337 . . . . 0.0 111.946 -171.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.54 139.55 25.72 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 123.132 2.555 . . . . 0.0 110.683 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.7 t -50.11 -48.88 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.305 1.042 . . . . 0.0 112.349 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.05 -18.16 63.98 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.83 -19.63 12.86 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.489 1.518 . . . . 0.0 114.271 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -68.79 149.3 49.15 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.532 1.133 . . . . 0.0 113.257 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 75' ' ' THR . 85.6 mttt -134.92 146.29 49.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.231 2.213 . . . . 0.0 108.114 167.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.1 124.54 39.45 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.81 1.644 . . . . 0.0 110.282 -169.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -132.61 127.14 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.193 1.397 . . . . 0.0 110.868 -169.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -132.63 143.55 49.75 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.813 1.245 . . . . 0.0 111.124 172.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.97 27.21 3.09 Favored 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.6 32.41 74.72 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.918 1.723 . . . . 0.0 114.665 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -134.21 129.46 35.77 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.422 2.289 . . . . 0.0 110.87 170.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -69.4 125.3 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.617 -0.677 . . . . 0.0 110.35 172.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' HB3' HG21 ' A' ' 23' ' ' VAL . 29.3 mt -72.2 129.2 37.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.656 1.582 . . . . 0.0 110.946 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -78.3 131.16 36.94 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.61 -18.91 22.49 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.53 1.932 . . . . 0.0 115.583 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -111.18 3.41 18.46 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.677 1.591 . . . . 0.0 113.213 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -107.98 140.9 40.44 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.948 1.699 . . . . 0.0 110.072 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.94 155.71 38.38 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.49 -29.66 70.34 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.205 -0.935 . . . . 0.0 112.833 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -48.92 -38.56 23.15 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.585 1.954 . . . . 0.0 113.193 169.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -67.45 -15.02 63.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.76 1.624 . . . . 0.0 114.493 -173.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -115.8 0.55 13.19 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.782 1.633 . . . . 0.0 112.561 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 45.05 41.23 5.29 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.975 2.51 . . . . 0.0 113.812 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.56 134.86 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.44 1.496 . . . . 0.0 109.631 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -101.27 156.0 17.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.164 0.986 . . . . 0.0 111.168 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -70.73 -34.3 71.75 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.887 0.875 . . . . 0.0 112.59 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -79.04 -35.43 42.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.952 1.701 . . . . 0.0 112.58 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -71.14 163.1 28.29 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.632 0.773 . . . . 0.0 110.004 170.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -111.79 144.46 41.05 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.681 0.753 . . . . 0.0 112.698 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.69 157.29 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 126.134 1.773 . . . . 0.0 108.497 169.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.2 t -106.91 123.96 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.644 -0.66 . . . . 0.0 110.445 172.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.61 136.82 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 125.269 1.427 . . . . 0.0 109.608 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.8 ptm -135.63 163.05 31.03 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.679 1.191 . . . . 0.0 111.127 171.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p -134.2 123.66 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.219 1.408 . . . . 0.0 109.326 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.42 HG21 ' HE3' ' A' ' 45' ' ' LYS . 73.9 p -76.67 165.19 25.09 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -174.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt 23.84 80.01 0.2 Allowed Pre-proline 0 N--CA 1.483 1.18 0 C-N-CA 129.653 3.181 . . . . 0.0 115.179 172.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -52.89 165.1 1.31 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.407 3.405 . . . . 0.0 115.64 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -68.22 -9.85 50.17 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.31 103.23 1.92 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.607 1.963 . . . . 0.0 112.295 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.2 m 39.16 56.58 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 127.867 2.467 . . . . 0.0 114.507 174.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.7 t -57.64 -38.24 74.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.315 1.446 . . . . 0.0 114.6 -171.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.9 p -134.22 158.56 74.99 Favored Pre-proline 0 N--CA 1.48 1.067 0 C-N-CA 125.334 1.454 . . . . 0.0 112.684 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -59.37 150.17 76.64 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.563 2.842 . . . . 0.0 114.347 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -147.65 -66.62 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.058 0 C-N-CA 124.795 1.238 . . . . 0.0 112.888 169.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -75.86 -9.67 19.63 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.599 2.199 . . . . 0.0 115.436 -176.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.16 -50.97 59.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.859 1.663 . . . . 0.0 112.788 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.7 t -161.67 158.98 26.86 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.542 1.937 . . . . 0.0 110.38 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.79 -23.31 66.12 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.067 1.347 . . . . 0.0 112.49 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -76.41 72.64 3.15 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.674 1.19 . . . . 0.0 110.862 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -64.93 -1.37 1.97 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.458 1.903 . . . . 0.0 115.262 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -55.64 144.79 25.53 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.272 1.429 . . . . 0.0 114.309 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -142.57 143.89 32.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 127.228 2.211 . . . . 0.0 108.281 169.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -64.75 156.81 29.29 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.588 0.708 . . . . 0.0 112.175 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -81.57 -4.91 57.35 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.143 0 C-N-CA 126.016 1.726 . . . . 0.0 114.998 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 112.013 -0.435 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 47.6 m -72.12 72.05 0.87 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.987 1.715 . . . . 0.0 112.952 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -74.5 -7.29 52.54 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.066 1.747 . . . . 0.0 115.105 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 34.7 tpp -64.32 154.34 35.6 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.837 1.255 . . . . 0.0 113.412 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 39.5 p -75.08 -0.03 17.66 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.673 1.989 . . . . 0.0 115.552 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 84.0 mt -52.94 119.86 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.925 1.69 . . . . 0.0 110.699 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 68.5 m -120.87 168.72 11.17 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.98 1.712 . . . . 0.0 112.262 -175.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -66.16 163.4 17.75 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.351 1.06 . . . . 0.0 112.644 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -132.27 155.87 47.54 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.904 1.682 . . . . 0.0 110.852 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -108.61 0.06 20.52 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.88 1.272 . . . . 0.0 113.737 -173.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -59.93 133.59 56.24 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.034 1.334 . . . . 0.0 112.849 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -104.32 -169.29 24.84 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.819 1.676 . . . . 0.0 114.863 -172.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -132.27 154.25 49.85 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.85 2.06 . . . . 0.0 110.887 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 21.9 m -58.95 144.88 43.52 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.076 1.35 . . . . 0.0 110.851 169.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -171.71 -176.71 40.87 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.475 1.512 . . . . 0.0 112.817 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.18 129.51 88.64 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.509 1.124 . . . . 0.0 111.576 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -62.18 166.34 12.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.129 2.553 . . . . 0.0 114.111 175.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -81.32 54.29 2.26 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.383 1.473 . . . . 0.0 109.986 168.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 10.6 mp 68.97 0.52 2.8 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 129.8 3.24 . . . . 0.0 115.998 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 45.5 m -57.81 -37.07 73.12 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 19.4 m -100.17 -21.37 15.56 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -175.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -79.81 133.08 36.27 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -172.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 63.5 p -65.62 172.73 3.19 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.246 1.018 . . . . 0.0 111.429 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.36 -40.83 78.93 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 120.82 -1.175 . . . . 0.0 111.717 171.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -63.57 -43.43 97.03 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.956 1.302 . . . . 0.0 112.66 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.19 -38.04 78.45 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.148 -0.97 . . . . 0.0 112.698 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -60.2 -44.68 94.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.043 0.937 . . . . 0.0 111.256 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 56.1 mt -58.57 -51.29 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.27 1.028 . . . . 0.0 111.176 171.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -56.23 -39.37 72.42 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.503 1.047 . . . . 0.0 112.823 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.94 -47.39 83.43 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.573 0.749 . . . . 0.0 112.292 169.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.01 75.43 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 9.3 mmt -55.9 -56.7 17.52 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.994 1.318 . . . . 0.0 111.085 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -58.89 -41.46 87.18 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.739 0.816 . . . . 0.0 112.494 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 35.7 ttp -65.35 -44.72 86.8 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.661 -0.649 . . . . 0.0 111.752 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 28.9 p -64.2 -31.31 72.45 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.92 -38.16 87.37 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.147 0.979 . . . . 0.0 111.921 170.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -65.8 -10.8 40.79 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 170.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -75.95 -14.39 82.25 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.773 1.177 . . . . 0.0 112.971 169.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -100.2 -131.5 0.24 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.944 2.098 . . . . 0.0 109.957 169.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -81.31 -15.88 54.11 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -76.51 -4.54 43.26 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -67.76 -7.39 48.2 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.564 1.554 . . . . 0.0 116.009 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -124.9 5.7 8.03 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.881 1.673 . . . . 0.0 114.113 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -64.73 150.29 47.59 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.112 0.965 . . . . 0.0 113.173 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -73.92 -35.72 64.63 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.313 1.045 . . . . 0.0 112.616 177.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 42.4 m 58.6 0.79 0.15 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 128.219 2.607 . . . . 0.0 117.264 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -69.39 167.52 16.36 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.138 1.375 . . . . 0.0 113.2 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.825 2.05 . . . . 0.0 112.604 177.78 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 ttp . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.579 0.704 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -86.31 78.06 9.38 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.956 1.302 . . . . 0.0 111.179 -173.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.94 130.65 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.024 0.929 . . . . 0.0 109.215 171.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.6 m -79.89 134.83 36.32 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 169.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.05 152.17 26.28 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.562 1.545 . . . . 0.0 111.163 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -139.35 139.16 37.16 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.103 1.761 . . . . 0.0 111.475 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 p -100.63 167.9 10.04 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.997 1.319 . . . . 0.0 112.364 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.0 mt -67.72 -26.68 66.27 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.194 -0.941 . . . . 0.0 113.083 169.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -74.62 4.42 6.21 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.184 0.994 . . . . 0.0 111.925 169.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 66.43 23.05 10.64 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.5 2.32 . . . . 0.0 113.522 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -89.21 158.88 17.71 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.347 1.459 . . . . 0.0 110.195 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.8 p -138.76 146.91 41.99 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.68 0.792 . . . . 0.0 112.87 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -150.51 -171.62 3.97 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.384 2.273 . . . . 0.0 110.09 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -127.63 155.16 44.32 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.917 -1.114 . . . . 0.0 112.516 169.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.4 mm -132.25 107.94 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 127.332 2.253 . . . . 0.0 108.606 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -75.37 100.7 4.51 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.37 169.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tp -120.61 150.33 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.396 1.879 . . . . 0.0 110.773 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -72.5 118.1 64.74 Favored Pre-proline 0 CA--C 1.552 1.032 0 O-C-N 121.075 -1.015 . . . . 0.0 110.77 174.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.84 -14.06 26.71 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.893 2.395 . . . . 0.0 114.603 -172.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -87.94 -13.38 41.98 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.167 -0.958 . . . . 0.0 112.44 173.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -79.67 175.23 10.8 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 122.112 0.958 . . . . 0.0 110.308 168.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.515 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 30.1 p -93.98 173.88 7.44 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -170.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' A' ' 53' ' ' LEU . 81.5 t -61.42 -31.83 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.886 0.874 . . . . 0.0 111.385 174.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -60.6 -36.78 79.41 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.987 -1.071 . . . . 0.0 112.403 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -37.81 82.49 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 118.744 0.702 . . . . 0.0 112.773 172.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.64 -54.75 42.43 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.943 -1.098 . . . . 0.0 110.96 169.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.57 -42.92 45.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.576 1.15 . . . . 0.0 113.231 171.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -54.59 29.46 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.7 1.6 . . . . 0.0 112.363 171.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -68.85 -34.48 75.54 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.626 -0.671 . . . . 0.0 112.491 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.27 -50.06 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.27 1.028 . . . . 0.0 110.858 169.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.94 -43.76 86.55 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.819 0.848 . . . . 0.0 111.293 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -61.3 -49.1 78.4 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.871 1.269 . . . . 0.0 112.714 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -66.61 -58.54 4.95 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.866 1.266 . . . . 0.0 112.713 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -85.03 -14.97 45.67 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.935 1.294 . . . . 0.0 114.011 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.91 140.25 6.75 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 126.639 2.066 . . . . 0.0 112.273 -174.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -25.07 66.85 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.348 1.059 . . . . 0.0 113.479 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.1 -31.43 72.29 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.726 1.61 . . . . 0.0 111.905 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.59 -49.14 6.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.796 1.239 . . . . 0.0 111.837 174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.63 79.16 35.52 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.825 1.65 . . . . 0.0 111.845 -173.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.58 143.88 39.0 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.821 2.348 . . . . 0.0 110.095 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.9 t -51.34 -44.03 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 120.752 -1.218 . . . . 0.0 110.769 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -0.53 3.89 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.02 1.728 . . . . 0.0 115.59 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.59 -19.96 1.14 Allowed Glycine 0 N--CA 1.477 1.399 0 C-N-CA 125.317 1.437 . . . . 0.0 115.073 174.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -63.43 146.92 52.61 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.56 1.18 . . . . 0.0 114.162 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -133.44 144.03 49.23 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.298 2.239 . . . . 0.0 108.692 168.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -125.35 124.27 41.18 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 126.667 1.987 . . . . 0.0 110.001 -169.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -131.8 126.8 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.084 1.353 . . . . 0.0 110.456 -171.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -132.72 139.7 47.75 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.072 1.349 . . . . 0.0 111.303 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.35 26.9 3.31 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.32 17.55 77.76 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 126.502 2.001 . . . . 0.0 115.346 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -127.04 128.17 45.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.738 2.015 . . . . 0.0 110.943 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mt -69.29 124.6 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.614 0.766 . . . . 0.0 110.165 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' HB3' HG21 ' A' ' 23' ' ' VAL . 32.3 mt -68.67 128.34 36.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.921 1.688 . . . . 0.0 111.461 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -70.58 122.19 19.28 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.11 1.364 . . . . 0.0 111.999 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -49.05 -42.63 39.09 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.913 1.685 . . . . 0.0 114.865 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -89.53 -12.82 38.85 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.561 1.545 . . . . 0.0 113.84 -175.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.3 m -82.57 143.51 30.99 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.471 1.109 . . . . 0.0 110.606 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.91 152.24 35.43 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.97 -36.9 85.03 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.323 -0.861 . . . . 0.0 112.884 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -54.11 -26.29 26.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.638 1.575 . . . . 0.0 114.612 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -70.42 -22.5 62.72 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.22 1.008 . . . . 0.0 113.025 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -100.96 -3.12 30.13 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.232 1.813 . . . . 0.0 112.56 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mptt 47.5 36.94 5.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 128.09 2.556 . . . . 0.0 113.767 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 mt -58.79 139.15 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.21 1.404 . . . . 0.0 109.16 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -108.93 161.62 14.97 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.814 1.246 . . . . 0.0 111.032 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.88 -38.0 82.5 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.164 -0.96 . . . . 0.0 112.852 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -75.63 -36.04 60.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.223 1.409 . . . . 0.0 113.122 -177.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -70.78 158.97 35.4 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.686 1.194 . . . . 0.0 110.733 171.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -117.07 139.96 50.07 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -91.62 158.97 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 126.272 1.829 . . . . 0.0 108.717 169.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.6 t -110.67 132.38 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 122.988 0.515 . . . . 0.0 110.228 172.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -114.61 137.48 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 125.646 1.578 . . . . 0.0 110.292 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.1 ptm -135.72 168.94 18.35 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.186 1.394 . . . . 0.0 111.372 170.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 p -131.53 107.26 13.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 124.949 1.3 . . . . 0.0 110.137 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.9 p -80.4 173.31 12.72 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.648 0.779 . . . . 0.0 111.093 170.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -55.79 117.56 16.12 Favored Pre-proline 0 N--CA 1.479 0.995 0 CA-C-O 117.376 -1.297 . . . . 0.0 109.845 170.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.83 157.64 12.46 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.873 2.382 . . . . 0.0 115.87 -173.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -93.3 -0.71 56.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.766 1.226 . . . . 0.0 113.018 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.83 60.6 1.56 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.181 2.192 . . . . 0.0 111.386 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.1 p -139.85 156.64 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 125.914 1.686 . . . . 0.0 110.827 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.0 m 61.13 4.25 0.83 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.873 2.069 . . . . 0.0 115.529 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 p -70.62 154.43 94.37 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 126.289 1.836 . . . . 0.0 112.648 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.55 172.93 15.37 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.61 2.873 . . . . 0.0 112.415 174.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.58 73.8 16.58 Favored Pre-proline 0 CA--C 1.55 0.981 0 C-N-CA 126.206 1.802 . . . . 0.0 111.461 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -70.81 0.22 6.77 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.909 3.073 . . . . 0.0 115.199 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.34 -11.74 61.07 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.059 1.744 . . . . 0.0 113.842 169.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.6 t -130.63 -176.68 4.06 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.341 1.857 . . . . 0.0 111.42 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.38 66.53 0.46 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.956 2.103 . . . . 0.0 110.84 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.25 145.49 56.16 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.951 1.7 . . . . 0.0 113.012 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -130.74 -17.65 3.18 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.073 2.149 . . . . 0.0 112.894 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -78.57 11.53 2.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.52 1.528 . . . . 0.0 114.868 -174.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -55.34 -14.03 1.67 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.778 1.631 . . . . 0.0 115.107 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -53.81 -26.53 24.58 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.687 1.595 . . . . 0.0 114.127 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -76.73 -1.36 27.56 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 . . . . . 0 C--O 1.253 1.274 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 179.036 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.831 -0.507 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 9.3 t -63.44 158.2 21.36 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.857 -0.79 . . . . 0.0 112.639 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 19.2 p80 49.55 -35.38 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.95 1 C-N-CA 132.557 4.343 . . . . 0.0 119.158 -177.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 76.9 mtm -69.45 -35.2 75.42 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.546 1.538 . . . . 0.0 113.468 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 10.3 m -80.68 63.95 5.28 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.985 1.314 . . . . 0.0 111.312 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -20.74 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.629 1.171 . . . . 0.0 113.885 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 53.0 p -68.99 -8.29 43.44 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.891 2.076 . . . . 0.0 114.806 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.68 -23.41 67.11 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.136 1.374 . . . . 0.0 114.092 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.1 110.67 5.91 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.401 1.081 . . . . 0.0 112.071 171.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -111.58 -10.69 14.11 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -150.24 169.24 21.82 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.846 1.258 . . . . 0.0 112.888 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -101.45 124.8 8.35 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.879 1.704 . . . . 0.0 111.856 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -73.0 -5.7 40.52 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -173.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 5.7 t -63.93 169.5 4.2 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.779 1.232 . . . . 0.0 113.212 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 72.61 70.4 1.23 Allowed Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.045 1.307 . . . . 0.0 112.769 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.08 152.03 63.34 Favored Pre-proline 0 CA--C 1.554 1.128 0 C-N-CA 124.823 1.249 . . . . 0.0 112.738 -178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -61.4 169.08 7.02 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.798 2.998 . . . . 0.0 115.926 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -82.93 49.78 1.59 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.81 1.644 . . . . 0.0 108.637 168.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 1.1 tp 61.75 -5.18 0.15 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 129.857 3.263 . . . . 0.0 116.217 -169.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 21.7 p -61.24 -57.21 13.32 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.846 1.659 . . . . 0.0 114.493 -172.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 49.3 m -95.57 4.54 53.05 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.221 1.408 . . . . 0.0 113.183 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 13.5 tpp -71.8 112.57 8.02 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.279 1.832 . . . . 0.0 112.251 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 44.8 p -64.97 155.72 33.58 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.501 0.721 . . . . 0.0 111.045 170.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.31 -38.37 76.94 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 120.957 -1.089 . . . . 0.0 113.489 -170.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.96 -36.9 85.02 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.737 0.815 . . . . 0.0 112.792 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.3 -31.82 54.95 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.354 -0.841 . . . . 0.0 112.291 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -61.14 -46.06 92.12 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.251 0.932 . . . . 0.0 110.463 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.44 -52.85 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.887 1.275 . . . . 0.0 110.74 171.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.05 76.5 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.887 1.221 . . . . 0.0 113.669 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -61.97 -46.23 90.16 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.541 1.136 . . . . 0.0 111.591 169.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.49 83.12 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.354 -0.841 . . . . 0.0 113.218 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 47.5 mtt -57.57 -51.3 70.05 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.277 1.031 . . . . 0.0 111.686 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -56.4 -44.54 80.37 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.052 0.941 . . . . 0.0 112.794 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.51 -48.81 76.05 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.839 0.745 . . . . 0.0 111.656 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 27.5 p -65.69 -26.47 67.79 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.12 -42.77 99.14 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.778 1.231 . . . . 0.0 110.93 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -71.49 -32.44 68.26 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 172.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -62.3 -27.28 69.01 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 123.912 0.768 . . . . 0.0 113.989 169.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -85.56 -73.56 0.44 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.638 1.975 . . . . 0.0 112.846 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -138.82 -17.21 1.09 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.945 1.832 . . . . 0.0 115.945 -169.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -92.62 11.56 26.18 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.759 1.223 . . . . 0.0 113.896 -175.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -76.31 83.06 0.99 Allowed Glycine 0 CA--C 1.532 1.127 0 C-N-CA 126.123 1.82 . . . . 0.0 113.471 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 53.06 41.27 32.15 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.433 1.893 . . . . 0.0 113.406 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -64.29 165.88 8.87 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.919 1.287 . . . . 0.0 113.268 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.64 -43.38 97.62 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.103 1.361 . . . . 0.0 113.116 -177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 78.4 p -151.58 168.38 25.13 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.594 1.558 . . . . 0.0 112.418 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -72.05 171.83 11.18 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.497 1.119 . . . . 0.0 112.837 172.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 125.953 1.701 . . . . 0.0 113.748 173.827 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 mtp . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 110.628 -0.138 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -85.98 78.52 9.44 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.391 -0.818 . . . . 0.0 109.367 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.98 135.24 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.746 1.618 . . . . 0.0 109.847 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.2 m -82.37 134.87 35.26 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.611 -0.681 . . . . 0.0 110.082 169.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.93 151.16 27.43 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.206 1.803 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -137.95 126.62 23.69 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.241 1.817 . . . . 0.0 111.204 172.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 p -84.86 168.14 15.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.057 1.343 . . . . 0.0 112.156 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' B' ' 290' ' ' ALA . 34.3 mt -68.82 -23.88 64.32 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.06 -1.025 . . . . 0.0 113.572 171.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -77.92 6.42 7.75 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.007 0.923 . . . . 0.0 112.203 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 58.64 32.97 22.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.444 2.698 . . . . 0.0 114.356 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -88.98 149.38 23.3 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 169.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 p -129.85 139.58 51.17 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.932 0.872 . . . . 0.0 112.498 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -144.33 -179.62 6.65 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.152 2.181 . . . . 0.0 110.089 -173.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.45 149.35 50.61 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.146 -0.971 . . . . 0.0 111.424 169.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.2 mm -129.43 113.44 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.712 2.005 . . . . 0.0 109.286 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -77.44 97.2 4.89 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.783 1.233 . . . . 0.0 110.094 170.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -120.45 145.71 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 127.101 2.161 . . . . 0.0 111.293 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.72 121.8 68.7 Favored Pre-proline 0 CA--C 1.548 0.877 0 O-C-N 121.391 -0.818 . . . . 0.0 110.25 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.99 -27.96 80.11 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.475 2.783 . . . . 0.0 114.269 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -74.08 -17.84 60.9 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.199 1.8 . . . . 0.0 114.12 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -75.95 -10.37 59.37 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 32.7 p 82.17 174.03 0.1 Allowed 'General case' 0 N--CA 1.483 1.212 1 C-N-CA 132.273 4.229 . . . . 0.0 114.044 177.232 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.64 -33.34 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 120.743 -1.223 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -62.47 -26.49 68.55 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.998 -1.063 . . . . 0.0 112.757 173.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.41 -31.88 42.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.082 0.953 . . . . 0.0 113.299 173.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 tp -56.48 -51.35 68.78 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.652 -1.28 . . . . 0.0 108.782 169.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -53.84 -42.57 68.65 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.77 1.628 . . . . 0.0 113.611 169.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -43.65 96.77 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.353 1.433 . . . . 0.0 112.944 174.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -63.17 -46.15 88.49 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.329 1.051 . . . . 0.0 112.138 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -58.01 -49.75 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.534 1.134 . . . . 0.0 110.805 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -50.21 69.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.737 1.215 . . . . 0.0 112.038 174.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -60.45 -47.93 83.97 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.703 1.201 . . . . 0.0 112.906 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -70.43 -53.84 14.8 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.326 1.451 . . . . 0.0 112.72 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -88.89 -15.62 33.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -169.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.19 122.69 3.62 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 126.172 1.844 . . . . 0.0 112.896 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 pttm -53.17 -33.1 51.09 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.234 1.414 . . . . 0.0 114.609 -172.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -66.5 -33.37 75.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.126 0.57 . . . . 0.0 112.261 -172.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.88 -24.73 14.57 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.627 1.171 . . . . 0.0 112.951 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -131.54 68.15 80.74 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 126.651 1.98 . . . . 0.0 111.612 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.09 139.05 11.68 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.963 2.442 . . . . 0.0 111.626 -176.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -51.98 -46.2 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 120.928 -1.107 . . . . 0.0 111.54 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.96 -2.64 13.12 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.49 -16.97 2.21 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 126.016 1.77 . . . . 0.0 115.329 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -67.35 137.31 55.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.213 1.506 . . . . 0.0 112.449 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -121.29 149.17 43.31 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.583 1.553 . . . . 0.0 109.066 168.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.49 124.16 28.01 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 126.233 1.813 . . . . 0.0 109.395 -169.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.94 120.73 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.054 1.342 . . . . 0.0 110.486 -169.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -127.75 147.7 50.41 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.274 1.03 . . . . 0.0 111.567 169.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.22 26.53 2.99 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.953 1.301 . . . . 0.0 114.26 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.72 19.28 79.71 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.161 1.362 . . . . 0.0 115.141 -174.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -127.0 129.82 48.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.51 1.924 . . . . 0.0 111.29 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -67.66 127.12 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.492 0.717 . . . . 0.0 110.545 175.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -75.64 138.68 41.55 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.744 1.617 . . . . 0.0 111.857 -176.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -73.07 122.09 21.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.786 1.235 . . . . 0.0 110.829 175.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.08 -33.56 26.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.398 1.479 . . . . 0.0 114.483 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -100.25 -3.66 31.0 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.0 m -88.19 145.34 25.96 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.511 1.125 . . . . 0.0 110.291 172.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -74.26 153.82 39.23 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.082 -1.011 . . . . 0.0 113.408 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.47 -29.95 70.67 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.114 0.966 . . . . 0.0 113.019 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -58.16 -35.14 71.11 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.733 1.613 . . . . 0.0 113.026 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.0 -17.48 64.47 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.035 1.334 . . . . 0.0 113.829 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -107.17 -0.11 22.97 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.041 1.737 . . . . 0.0 112.668 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 47.71 36.58 5.81 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.815 2.446 . . . . 0.0 114.017 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mt -59.56 146.28 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.148 1.379 . . . . 0.0 108.972 171.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -122.89 163.68 19.88 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.079 1.352 . . . . 0.0 111.279 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.7 -27.96 60.61 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.321 -0.862 . . . . 0.0 112.573 174.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -79.31 -37.88 36.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.548 1.539 . . . . 0.0 112.953 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -74.26 168.07 20.35 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.085 1.354 . . . . 0.0 111.24 173.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -116.18 141.73 47.76 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.575 0.75 . . . . 0.0 112.371 173.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.75 161.94 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.17 1.788 . . . . 0.0 109.582 169.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.8 t -112.22 133.39 58.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 O-C-N 121.739 -0.6 . . . . 0.0 110.465 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -121.29 140.52 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.38 1.472 . . . . 0.0 111.323 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -141.78 173.38 11.56 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.722 1.609 . . . . 0.0 111.65 173.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 p -130.82 103.95 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.948 1.299 . . . . 0.0 110.084 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 p -77.88 172.99 12.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.784 1.234 . . . . 0.0 111.249 172.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -58.56 115.62 12.27 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-O 117.907 -1.045 . . . . 0.0 110.304 170.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.75 162.77 10.16 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.912 2.408 . . . . 0.0 115.607 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -118.77 -2.67 10.87 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 175.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 47.93 -158.5 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.001 1.72 . . . . 0.0 113.371 -171.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.6 m -129.92 163.15 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.982 1.713 . . . . 0.0 111.572 174.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.8 m -70.27 -30.95 68.11 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 p -81.88 164.19 49.92 Favored Pre-proline 0 N--CA 1.476 0.87 0 C-N-CA 125.97 1.708 . . . . 0.0 112.401 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -53.86 139.15 69.45 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.206 2.604 . . . . 0.0 112.639 169.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -144.13 158.23 55.6 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 124.955 1.302 . . . . 0.0 112.35 -175.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.26 5.1 5.68 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 124.166 3.244 . . . . 0.0 114.676 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.94 99.36 1.05 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.069 1.747 . . . . 0.0 111.408 173.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.6 p -70.1 -15.83 63.03 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.846 1.258 . . . . 0.0 114.394 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.1 tp 55.84 14.63 1.39 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.898 2.079 . . . . 0.0 114.15 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 52.56 28.86 6.46 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.869 2.068 . . . . 0.0 114.28 -176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -65.44 166.72 9.8 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.845 -1.16 . . . . 0.0 113.192 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.67 157.46 44.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.141 1.377 . . . . 0.0 112.33 176.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -69.01 0.55 4.41 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -170.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -66.62 -7.45 20.52 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.12 1.368 . . . . 0.0 114.413 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -61.33 171.37 1.42 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.038 1.335 . . . . 0.0 113.538 171.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.0 m80 . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.374 1.47 . . . . 0.0 113.088 174.146 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 12.4 t -69.4 164.99 21.75 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.391 1.076 . . . . 0.0 113.044 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 166.3 3.79 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.77 1.628 . . . . 0.0 113.488 169.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 62.5 mtt -121.92 -3.42 9.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.185 1.394 . . . . 0.0 113.896 -175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 34.4 p -65.29 -21.1 66.68 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.16 1.384 . . . . 0.0 114.245 -177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -9.56 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.455 1.502 . . . . 0.0 114.317 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 80.9 p -66.22 -13.03 59.67 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 173.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -64.71 170.64 3.95 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.377 1.471 . . . . 0.0 114.009 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -139.82 109.68 6.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.516 1.526 . . . . 0.0 110.695 175.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -23.65 48.46 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 170.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -65.86 156.43 33.37 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.307 1.443 . . . . 0.0 112.934 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 111.59 -9.97 28.13 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 126.052 1.786 . . . . 0.0 114.524 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -132.04 77.04 1.74 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.757 2.023 . . . . 0.0 109.799 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 24.6 p -127.95 -63.51 1.01 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.786 1.634 . . . . 0.0 111.974 -170.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 71.79 -173.25 44.86 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.934 1.254 . . . . 0.0 113.945 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 15.4 tp -138.46 116.9 9.37 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.496 1.518 . . . . 0.0 110.47 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -77.77 170.76 18.51 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.888 3.058 . . . . 0.0 113.134 -177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -79.23 45.77 0.67 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.277 1.831 . . . . 0.0 110.697 169.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.8 mp 64.09 4.96 2.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 129.464 3.106 . . . . 0.0 115.677 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 23.3 p -59.87 -55.99 27.28 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.384 1.474 . . . . 0.0 113.965 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 48.8 m -96.59 -5.71 38.5 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.425 1.49 . . . . 0.0 113.661 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -75.63 123.04 24.85 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.747 1.619 . . . . 0.0 111.951 -172.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 81.4 p -62.71 162.64 10.43 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.651 0.78 . . . . 0.0 112.221 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -61.38 -36.39 80.1 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.247 -0.908 . . . . 0.0 112.042 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -65.34 -43.77 89.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.116 1.366 . . . . 0.0 112.76 173.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -69.08 -37.67 78.6 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.145 -0.972 . . . . 0.0 112.368 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -58.9 -45.16 90.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.939 0.895 . . . . 0.0 111.49 170.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 34.0 mt -56.89 -53.95 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.213 1.005 . . . . 0.0 111.0 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.21 77.36 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.841 1.201 . . . . 0.0 113.506 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -61.37 -44.51 97.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.489 1.115 . . . . 0.0 111.808 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -57.05 -48.08 79.41 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.772 0.829 . . . . 0.0 112.337 170.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 42.2 mtt -57.42 -45.32 84.74 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.971 1.308 . . . . 0.0 112.284 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -58.31 -46.69 85.68 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.895 0.77 . . . . 0.0 112.504 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 79.0 mtm -66.16 -39.77 90.02 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.665 0.666 . . . . 0.0 111.894 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 20.7 t -58.4 -40.7 83.12 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.511 1.524 . . . . 0.0 113.502 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 75.9 mt -59.71 -38.41 81.57 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.213 1.005 . . . . 0.0 112.258 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.79 -44.64 73.2 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.752 0.706 . . . . 0.0 111.696 173.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.52 -27.2 65.57 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.846 1.212 . . . . 0.0 114.589 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -74.89 20.07 0.13 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 127.279 2.232 . . . . 0.0 114.041 169.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 56.49 58.38 4.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.005 2.122 . . . . 0.0 111.874 -169.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 51.15 50.94 18.0 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.609 1.963 . . . . 0.0 113.369 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -63.49 -9.77 32.95 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.116 1.817 . . . . 0.0 115.462 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -55.19 -26.5 39.52 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.597 1.559 . . . . 0.0 113.086 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -59.49 -18.71 42.31 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.079 1.351 . . . . 0.0 114.372 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -62.46 -16.4 55.12 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.928 1.291 . . . . 0.0 113.194 173.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 88.0 p -65.62 -16.61 63.89 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 172.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.94 160.49 30.72 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.263 1.025 . . . . 0.0 113.143 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.405 1.882 . . . . 0.0 112.714 176.873 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.8 ttp . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 121.61 0.719 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -84.93 75.74 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.935 1.294 . . . . 0.0 111.48 -171.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.16 119.3 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.026 1.33 . . . . 0.0 109.819 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.5 m -79.56 141.02 37.0 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.963 0.411 . . . . 0.0 110.579 170.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 mt -118.04 153.58 33.46 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.049 1.74 . . . . 0.0 111.595 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -134.16 123.94 25.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.702 2.001 . . . . 0.0 110.298 169.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 p -81.16 167.61 19.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.977 1.311 . . . . 0.0 112.114 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' B' ' 290' ' ' ALA . 52.1 mt -68.09 -22.35 64.91 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.025 -1.047 . . . . 0.0 113.692 170.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -79.39 5.66 12.08 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.056 1.343 . . . . 0.0 112.07 169.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 57.89 34.09 23.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.126 2.57 . . . . 0.0 114.316 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -89.34 149.21 23.12 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.893 1.277 . . . . 0.0 108.668 169.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 p -131.65 138.69 48.85 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.788 0.722 . . . . 0.0 112.67 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -144.67 171.36 14.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.481 1.912 . . . . 0.0 110.796 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -125.81 144.29 50.7 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.539 1.136 . . . . 0.0 111.964 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 mm -130.94 111.95 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.67 1.988 . . . . 0.0 109.171 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -77.45 70.66 3.86 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 122.153 0.978 . . . . 0.0 111.657 175.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 tp -78.65 150.12 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 125.517 1.527 . . . . 0.0 111.61 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -77.15 113.48 31.2 Favored Pre-proline 0 CA--C 1.554 1.115 0 O-C-N 120.938 -1.101 . . . . 0.0 111.179 172.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -70.07 -12.74 32.87 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.517 2.812 . . . . 0.0 113.807 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -72.11 -23.25 61.29 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.674 1.124 . . . . 0.0 112.237 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -84.67 176.46 8.56 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.056 1.342 . . . . 0.0 112.128 175.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.6 p -93.58 174.67 7.07 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.253 1.021 . . . . 0.0 113.587 -174.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.8 t -59.55 -32.02 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.159 0.983 . . . . 0.0 111.869 174.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -56.79 -39.41 74.05 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.152 -0.968 . . . . 0.0 112.069 171.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.53 -35.35 73.1 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 tp -54.11 -54.61 37.11 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.504 1.047 . . . . 0.0 110.563 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -51.61 -44.03 62.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.123 0.969 . . . . 0.0 113.549 171.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -44.96 87.49 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.676 1.19 . . . . 0.0 112.772 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -65.32 -44.26 88.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.597 1.159 . . . . 0.0 112.508 173.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.4 mt -57.63 -50.62 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.873 0.869 . . . . 0.0 110.745 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.95 -43.76 91.31 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.449 0.699 . . . . 0.0 111.57 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.5 m -61.42 -44.69 96.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.132 0.973 . . . . 0.0 113.006 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.9 -58.11 3.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.465 1.106 . . . . 0.0 112.53 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -76.31 -20.03 57.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.635 1.174 . . . . 0.0 113.705 -174.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.91 141.15 6.51 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.422 1.963 . . . . 0.0 112.317 -172.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -58.91 -21.78 58.34 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.552 2.341 . . . . 0.0 114.24 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -64.18 -35.63 81.41 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.61 1.164 . . . . 0.0 112.899 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.23 -50.42 5.28 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.039 1.336 . . . . 0.0 112.105 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -137.09 80.2 35.77 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 125.676 1.59 . . . . 0.0 111.597 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.81 148.57 58.56 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.415 2.076 . . . . 0.0 110.007 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -54.32 -45.8 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 O-C-N 120.568 -1.333 . . . . 0.0 111.422 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.9 -13.68 62.11 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 115.254 1.575 . . . . 0.0 115.254 -177.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.86 -23.22 4.03 Favored Glycine 0 N--CA 1.476 1.31 0 C-N-CA 124.78 1.181 . . . . 0.0 114.896 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -75.42 147.25 40.1 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.706 1.253 . . . . 0.0 111.983 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -128.22 151.71 48.94 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.586 1.554 . . . . 0.0 110.448 170.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -125.41 123.64 39.73 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 127.298 2.239 . . . . 0.0 109.576 -169.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.63 122.43 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.929 1.291 . . . . 0.0 110.531 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -128.37 146.54 50.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.522 1.129 . . . . 0.0 111.434 171.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.87 25.74 1.7 Allowed 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.49 13.14 82.13 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.011 1.291 . . . . 0.0 115.395 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -126.33 134.89 50.97 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.791 1.637 . . . . 0.0 111.388 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.2 126.27 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 123.605 0.762 . . . . 0.0 110.761 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -69.0 125.24 26.04 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.121 1.768 . . . . 0.0 111.011 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -70.6 122.54 19.93 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.854 0.862 . . . . 0.0 111.533 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -49.55 -45.85 48.03 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.433 1.493 . . . . 0.0 113.978 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -77.62 -17.23 57.99 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.123 1.369 . . . . 0.0 114.298 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.0 m -82.69 145.3 29.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.385 1.074 . . . . 0.0 110.775 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.62 155.57 33.39 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.242 -0.911 . . . . 0.0 113.446 -177.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.69 -33.09 75.13 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.01 -29.51 69.75 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.866 1.266 . . . . 0.0 113.805 175.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -65.93 -20.28 66.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.592 1.157 . . . . 0.0 113.091 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -107.1 0.47 23.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.486 1.914 . . . . 0.0 112.608 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 tttm 43.6 40.61 2.99 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.616 2.766 . . . . 0.0 115.069 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.9 mt -58.77 136.85 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.314 1.446 . . . . 0.0 110.254 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -102.84 159.78 15.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.779 1.232 . . . . 0.0 111.736 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -78.13 -40.67 37.39 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -80.79 -32.66 35.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.917 1.287 . . . . 0.0 112.181 -175.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -76.42 168.92 19.2 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.955 0.502 . . . . 0.0 110.659 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -117.77 144.86 44.94 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -97.13 161.43 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 126.371 1.869 . . . . 0.0 108.115 169.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.5 t -103.18 127.82 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.321 -0.862 . . . . 0.0 110.054 173.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.5 141.26 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.142 1.377 . . . . 0.0 109.309 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -137.2 167.75 20.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.729 1.212 . . . . 0.0 111.05 170.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.8 p -137.08 123.63 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.846 1.259 . . . . 0.0 109.867 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -69.72 154.31 42.16 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -174.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' H ' ' CD ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -131.91 -37.2 0.03 OUTLIER Pre-proline 0 N--CA 1.479 0.991 0 C-N-CA 126.564 1.945 . . . . 0.0 114.454 176.047 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.458 ' CD ' ' H ' ' A' ' 76' ' ' LYS . 78.2 Cg_exo -57.7 170.52 1.9 Allowed 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 123.359 2.706 . . . . 0.0 114.404 170.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.0 pttt 47.46 7.53 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 130.471 3.509 . . . . 0.0 118.529 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.9 86.55 1.77 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.984 1.714 . . . . 0.0 112.216 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -128.91 159.4 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.964 1.706 . . . . 0.0 112.045 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.7 m -74.28 -14.41 60.9 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 -169.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.9 p -138.55 158.15 70.92 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 125.353 1.461 . . . . 0.0 112.109 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -77.0 40.35 0.8 Allowed 'Trans proline' 0 CA--C 1.549 1.246 0 C-N-CA 124.301 3.334 . . . . 0.0 113.056 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.21 -37.79 46.82 Favored Pre-proline 0 CA--C 1.555 1.153 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -55.93 148.13 59.02 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.937 2.425 . . . . 0.0 113.677 172.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -143.28 -62.07 0.41 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.742 1.217 . . . . 0.0 112.162 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.6 p -134.77 172.96 12.24 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.48 1.912 . . . . 0.0 111.459 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 pp -139.48 173.2 11.79 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.408 1.483 . . . . 0.0 112.266 174.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -125.69 -2.99 7.25 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.294 1.438 . . . . 0.0 114.199 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -65.45 111.42 3.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.19 1.396 . . . . 0.0 111.194 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -68.81 -26.19 65.06 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -72.82 163.46 28.09 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.198 0.999 . . . . 0.0 111.931 176.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.2 p80 50.33 -56.98 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 130.437 3.495 . . . . 0.0 117.894 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -68.17 90.91 0.35 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.414 2.286 . . . . 0.0 112.411 -176.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.3 m80 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.668 1.587 . . . . 0.0 112.202 175.081 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 19.0 m -61.0 -17.99 55.18 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -171.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -72.07 -13.47 61.6 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.838 1.255 . . . . 0.0 114.317 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 60.9 mtt -63.59 150.68 43.51 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.094 0.861 . . . . 0.0 112.464 175.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 8.6 t -148.58 176.13 10.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.99 1.716 . . . . 0.0 111.21 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 12.5 tt -144.96 160.74 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.351 1.46 . . . . 0.0 111.878 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.5 p -134.79 -159.74 0.99 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.314 2.246 . . . . 0.0 110.884 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.81 -24.25 66.75 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.008 -1.058 . . . . 0.0 112.325 169.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 62.56 -49.14 0.18 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 129.651 3.18 . . . . 0.0 115.142 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -79.1 1.83 22.88 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.77 1.628 . . . . 0.0 114.206 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -59.06 152.0 21.03 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.883 -1.135 . . . . 0.0 112.904 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 94.85 2.43 62.81 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.947 1.26 . . . . 0.0 116.009 174.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.08 163.35 12.57 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.062 1.431 . . . . 0.0 112.597 172.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 6.1 t -120.32 2.5 10.82 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.696 1.598 . . . . 0.0 114.243 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 89.9 179.23 44.59 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.19 1.376 . . . . 0.0 113.872 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 10.3 mp -73.37 161.45 79.05 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.774 1.229 . . . . 0.0 112.975 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.58 171.75 0.88 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 124.869 3.712 . . . . 0.0 115.867 173.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -81.39 52.8 1.92 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.571 1.548 . . . . 0.0 110.17 169.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 17.5 mt 62.42 0.25 0.59 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 128.964 2.905 . . . . 0.0 115.249 -169.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 5.9 m -54.39 -43.43 71.41 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.944 2.098 . . . . 0.0 115.124 -169.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 15.5 m -100.11 -8.68 23.42 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.572 1.149 . . . . 0.0 114.087 -175.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -88.31 132.11 34.54 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.173 0.989 . . . . 0.0 113.04 -170.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 57.9 p -71.7 176.99 4.4 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.089 1.755 . . . . 0.0 111.323 169.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -50.55 -54.68 20.58 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.065 -1.022 . . . . 0.0 112.251 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.03 -33.39 75.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.862 0.865 . . . . 0.0 113.097 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -72.4 -40.78 66.95 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.308 -0.87 . . . . 0.0 112.444 176.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -63.83 -42.24 97.66 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.336 -0.853 . . . . 0.0 111.276 171.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.13 -49.89 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.17 0.988 . . . . 0.0 110.959 171.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.28 -32.52 72.35 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 120.0 1.273 . . . . 0.0 113.676 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.2 -42.25 89.07 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.043 -1.036 . . . . 0.0 111.951 169.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . 0.423 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -58.12 -46.23 85.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.845 0.858 . . . . 0.0 112.112 171.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.4 mtt -57.78 -45.29 86.2 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.424 1.49 . . . . 0.0 111.733 173.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.63 -47.23 85.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.312 0.96 . . . . 0.0 112.425 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 69.2 mtm -63.07 -40.26 97.16 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.192 0.906 . . . . 0.0 111.922 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 8.5 t -59.81 -38.85 83.14 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.935 1.294 . . . . 0.0 113.431 173.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 66.9 mt -65.44 -34.13 77.57 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.157 1.383 . . . . 0.0 112.746 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -66.91 -44.28 81.14 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.117 0.871 . . . . 0.0 110.606 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -59.28 -26.09 61.12 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.41 1.481 . . . . 0.0 114.577 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -74.24 30.76 0.08 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.707 2.003 . . . . 0.0 113.596 169.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 49.56 43.24 23.89 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.575 1.95 . . . . 0.0 112.245 -170.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 59.83 6.01 0.82 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.65 2.38 . . . . 0.0 115.734 -175.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 149.96 87.53 0.06 OUTLIER Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.879 1.228 . . . . 0.0 112.654 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -60.84 -21.53 63.3 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -175.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -74.95 71.36 2.05 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.327 1.451 . . . . 0.0 111.691 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.37 -17.23 62.43 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 56.4 p -75.58 164.12 26.65 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.856 1.662 . . . . 0.0 113.569 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -77.01 -22.01 53.76 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.822 2.049 . . . . 0.0 112.768 -178.488 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptm . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.821 0.343 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -92.2 84.83 5.29 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.413 1.085 . . . . 0.0 110.38 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.75 133.59 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.422 1.089 . . . . 0.0 109.503 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.2 m -81.37 133.52 35.43 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.729 -0.607 . . . . 0.0 109.585 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.5 147.49 29.32 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.426 1.49 . . . . 0.0 110.628 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HE3' ' CG2' ' A' ' 12' ' ' THR . 2.9 tppp? -135.63 122.6 21.34 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.84 2.456 . . . . 0.0 109.723 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.1 p -85.52 166.06 16.6 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.719 1.208 . . . . 0.0 111.778 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.7 mt -67.53 -22.59 65.42 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.805 -1.184 . . . . 0.0 113.675 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -77.26 7.98 4.59 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.129 1.372 . . . . 0.0 111.798 169.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 57.45 28.5 15.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.68 2.792 . . . . 0.0 114.242 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -89.21 157.87 18.09 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.586 1.155 . . . . 0.0 109.497 172.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.425 ' CG2' ' HE3' ' A' ' 6' ' ' LYS . 33.4 p -135.83 148.1 48.54 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.328 1.061 . . . . 0.0 113.665 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -146.93 -179.95 7.16 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 128.0 2.52 . . . . 0.0 109.098 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -129.13 153.11 48.01 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.18 -0.95 . . . . 0.0 111.083 169.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.1 mm -134.7 110.74 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 126.133 1.773 . . . . 0.0 108.876 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -77.5 99.32 5.64 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.993 169.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.0 tp -117.33 143.76 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.522 1.929 . . . . 0.0 111.553 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -77.54 121.16 83.94 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 125.648 1.579 . . . . 0.0 111.057 171.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.11 -29.84 65.47 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.22 2.613 . . . . 0.0 113.886 -174.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -77.18 -20.86 54.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.981 1.712 . . . . 0.0 114.168 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -82.77 -6.01 59.2 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -169.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.8 p 87.02 174.14 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.343 1 C-N-CA 132.012 4.125 . . . . 0.0 113.748 173.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.09 -31.9 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 O-C-N 120.769 -1.207 . . . . 0.0 112.267 176.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -56.96 -37.16 71.17 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.964 -1.085 . . . . 0.0 112.354 171.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.11 -33.83 68.14 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 174.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.65 -55.5 33.2 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.091 -1.005 . . . . 0.0 110.042 169.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -50.37 -43.59 54.44 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.862 1.265 . . . . 0.0 113.606 170.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -50.76 63.38 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.101 1.36 . . . . 0.0 112.189 174.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -41.14 87.64 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.627 0.771 . . . . 0.0 111.961 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.79 -49.16 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.096 0.958 . . . . 0.0 110.843 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.04 -44.35 91.76 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.635 0.774 . . . . 0.0 111.377 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -59.98 -49.33 78.11 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.682 1.193 . . . . 0.0 112.589 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.98 -52.71 32.7 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.835 1.254 . . . . 0.0 112.683 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -90.23 -15.28 31.67 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -170.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.58 150.7 24.85 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 126.779 2.133 . . . . 0.0 113.165 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -63.04 -26.34 68.8 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.609 1.164 . . . . 0.0 113.343 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.59 -36.82 83.54 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.388 1.075 . . . . 0.0 112.657 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.55 -54.04 5.0 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.573 1.149 . . . . 0.0 112.022 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -139.03 77.56 31.07 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 124.963 1.305 . . . . 0.0 111.54 -172.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.43 146.58 56.47 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 C-N-CA 122.364 2.043 . . . . 0.0 109.929 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.4 t -51.4 -45.21 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 120.933 -1.105 . . . . 0.0 112.016 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.85 -14.89 61.6 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.36 -25.05 3.9 Favored Glycine 0 N--CA 1.476 1.322 0 C-N-CA 125.065 1.316 . . . . 0.0 114.8 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -71.43 144.79 49.63 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.477 1.139 . . . . 0.0 110.964 172.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -125.79 145.05 50.38 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.397 1.479 . . . . 0.0 109.764 171.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -121.75 127.23 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 126.806 2.042 . . . . 0.0 109.812 -169.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mp -134.65 126.95 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.002 1.321 . . . . 0.0 110.801 -171.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -132.09 137.19 47.65 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.759 1.224 . . . . 0.0 111.078 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 44.76 39.27 3.35 Favored 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.339 1.456 . . . . 0.0 114.551 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.8 28.42 73.62 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 126.79 2.138 . . . . 0.0 115.238 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -130.91 129.94 42.86 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.996 2.118 . . . . 0.0 110.723 173.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -73.21 123.27 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 123.693 0.797 . . . . 0.0 110.86 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.15 112.48 2.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.753 1.621 . . . . 0.0 110.639 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -71.49 125.13 26.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.486 1.114 . . . . 0.0 110.677 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.53 -46.77 57.58 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.803 2.041 . . . . 0.0 114.631 -169.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -78.75 -17.42 55.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.874 1.27 . . . . 0.0 114.046 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.9 m -76.59 145.6 38.84 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.545 1.138 . . . . 0.0 110.761 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.66 155.89 31.08 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.1 -1.0 . . . . 0.0 113.113 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 99.9 mt -69.8 -26.33 64.21 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.052 0.941 . . . . 0.0 113.317 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -60.26 -32.06 70.8 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.655 1.582 . . . . 0.0 112.899 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.08 -21.57 64.96 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.186 1.395 . . . . 0.0 113.363 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -102.92 -3.43 26.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.03 1.732 . . . . 0.0 112.545 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 45.48 43.44 8.83 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.874 2.47 . . . . 0.0 113.409 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 73.0 mt -61.11 133.97 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.917 1.287 . . . . 0.0 109.722 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -102.77 157.1 17.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.333 1.053 . . . . 0.0 111.648 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.82 -33.18 57.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.683 0.793 . . . . 0.0 112.998 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -82.98 -33.93 26.5 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.109 1.363 . . . . 0.0 112.463 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -74.04 170.08 16.18 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.252 0.621 . . . . 0.0 110.253 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -115.95 147.53 41.05 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.93 0.892 . . . . 0.0 113.217 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.84 147.63 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.242 1.817 . . . . 0.0 107.614 169.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.1 t -99.11 134.58 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 O-C-N 121.88 -0.513 . . . . 0.0 109.944 175.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.5 p -122.98 137.46 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.219 1.408 . . . . 0.0 110.794 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.5 ptm -137.78 170.47 16.01 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.984 1.713 . . . . 0.0 111.686 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.02 117.04 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 125.101 1.361 . . . . 0.0 109.478 175.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 p -76.22 145.2 39.95 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.42 -0.8 . . . . 0.0 112.821 -176.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -72.39 160.37 82.95 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.821 1.648 . . . . 0.0 112.065 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -55.78 164.07 4.92 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.691 2.927 . . . . 0.0 115.285 171.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -89.5 -8.57 52.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.437 1.495 . . . . 0.0 114.358 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.83 136.8 55.52 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.245 1.818 . . . . 0.0 111.902 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.259 24.4 m 49.35 -12.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 130.748 3.619 . . . . 0.0 118.204 -173.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.3 m -76.12 -38.21 57.13 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.41 1.484 . . . . 0.0 111.931 169.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.5 p -73.63 157.09 88.07 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 124.742 1.217 . . . . 0.0 112.264 171.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -69.77 160.48 49.56 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.983 2.455 . . . . 0.0 112.086 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.09 164.24 22.0 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.026 1.33 . . . . 0.0 112.797 -173.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.86 97.94 0.58 Allowed 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.716 2.944 . . . . 0.0 111.496 171.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 54.89 -173.19 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 127.195 2.198 . . . . 0.0 114.764 -174.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 36.1 p -68.75 -10.77 58.44 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.709 1.604 . . . . 0.0 114.305 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.5 tp -53.98 -54.62 36.45 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.823 1.649 . . . . 0.0 112.763 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.43 -37.68 75.89 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.17 0.988 . . . . 0.0 112.689 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -65.47 -7.08 12.5 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.192 1.397 . . . . 0.0 114.0 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -126.63 1.42 6.82 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.858 2.063 . . . . 0.0 113.11 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -76.79 170.91 15.61 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.166 1.386 . . . . 0.0 113.694 -171.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -64.18 -7.51 9.34 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.667 2.387 . . . . 0.0 115.647 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -66.31 -19.32 65.78 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.576 -1.328 . . . . 0.0 114.369 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.4 m80 . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.323 1.849 . . . . 0.0 113.312 179.696 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 19.1 m -59.49 -22.24 61.29 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -171.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -66.74 -17.43 64.86 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.746 1.218 . . . . 0.0 113.475 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 48.6 ttm -61.07 -11.2 7.7 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.429 1.492 . . . . 0.0 114.333 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 37.0 p -55.38 -28.29 53.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.407 1.483 . . . . 0.0 113.052 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 9.3 tp -63.3 -21.07 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 125.387 1.475 . . . . 0.0 113.85 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 50.4 m -110.86 0.91 17.36 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.439 1.496 . . . . 0.0 114.351 -172.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.09 167.05 21.92 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.799 0.84 . . . . 0.0 113.071 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -60.62 135.76 57.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.188 1.395 . . . . 0.0 111.887 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -80.29 89.51 5.51 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.007 0.923 . . . . 0.0 110.342 170.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -63.54 162.56 12.6 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.713 1.205 . . . . 0.0 112.722 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -157.64 166.62 33.91 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.922 1.249 . . . . 0.0 113.412 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -83.06 -16.97 44.87 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -173.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 40.9 p -130.4 -66.1 0.78 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.267 1.427 . . . . 0.0 112.47 -170.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 74.34 11.97 82.11 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.056 1.313 . . . . 0.0 115.136 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 16.9 tp -60.12 121.7 61.03 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 125.727 1.611 . . . . 0.0 111.742 -177.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.65 164.82 27.76 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.484 2.789 . . . . 0.0 113.971 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -82.1 53.91 2.36 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.479 1.512 . . . . 0.0 109.062 168.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.8 mt 62.89 -10.86 0.09 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 130.76 3.624 . . . . 0.0 116.964 -172.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 33.5 p -51.66 -61.08 2.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.809 1.643 . . . . 0.0 113.895 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 82.3 p -96.3 2.85 53.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.68 1.592 . . . . 0.0 114.042 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 25.1 tpp -59.6 133.71 56.35 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.622 1.569 . . . . 0.0 112.386 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 21.0 m -67.97 148.21 51.37 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.908 0.883 . . . . 0.0 109.636 169.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -56.19 -44.73 79.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.786 0.835 . . . . 0.0 112.57 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -62.24 -39.53 93.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.13 0.972 . . . . 0.0 112.787 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.96 -39.68 79.33 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.325 1.05 . . . . 0.0 112.269 174.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -63.03 -41.87 99.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.419 1.088 . . . . 0.0 111.502 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 77.3 mt -62.61 -48.9 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.741 1.216 . . . . 0.0 110.816 169.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -57.03 -37.75 72.19 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.984 1.265 . . . . 0.0 113.124 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -58.98 -47.03 86.6 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.413 1.085 . . . . 0.0 111.927 169.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.12 84.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.823 0.849 . . . . 0.0 113.281 172.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 8.2 mmt -53.85 -55.41 26.98 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.87 1.268 . . . . 0.0 110.863 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -48.38 -49.46 34.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.188 1.395 . . . . 0.0 112.681 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 65.9 mtm -64.72 -44.68 89.42 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.668 0.667 . . . . 0.0 111.78 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 54.0 p -64.52 -33.62 76.33 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.58 -38.43 89.51 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.003 1.321 . . . . 0.0 112.108 171.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -69.16 -30.8 69.1 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.526 -0.734 . . . . 0.0 111.861 171.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.97 -41.36 99.37 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.516 1.055 . . . . 0.0 111.055 169.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -72.92 10.21 0.96 Allowed 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 126.573 1.949 . . . . 0.0 113.314 169.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 67.34 9.0 6.67 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.199 3.0 . . . . 0.0 114.706 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 51.59 19.47 0.87 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.592 1.557 . . . . 0.0 114.76 -171.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -79.55 68.51 3.17 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 125.981 1.753 . . . . 0.0 114.059 -172.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -134.06 163.96 28.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.406 1.882 . . . . 0.0 111.385 174.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -74.86 -13.8 60.6 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.35 145.19 56.5 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.636 1.174 . . . . 0.0 112.868 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 39.6 m -72.49 -2.38 19.41 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.152 1.781 . . . . 0.0 115.079 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.06 -22.24 64.95 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -176.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.506 1.522 . . . . 0.0 113.354 175.088 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttp . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 121.769 0.795 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -86.96 79.23 8.81 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 124.399 1.08 . . . . 0.0 111.23 -170.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.63 119.35 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.752 1.221 . . . . 0.0 109.601 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 m -79.4 140.95 37.27 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.944 0.498 . . . . 0.0 110.037 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 mt -116.39 154.01 31.02 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.567 1.547 . . . . 0.0 111.673 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -132.91 122.79 24.86 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 128.242 2.617 . . . . 0.0 108.887 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -82.75 165.78 19.61 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.71 1.204 . . . . 0.0 111.722 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' B' ' 290' ' ' ALA . 38.9 mt -67.78 -21.94 65.22 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.082 -1.011 . . . . 0.0 113.4 170.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -78.0 4.98 10.82 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.784 1.233 . . . . 0.0 112.224 169.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 62.2 27.36 16.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 128.173 2.589 . . . . 0.0 114.177 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -87.63 157.43 19.12 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.582 1.153 . . . . 0.0 109.225 170.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.9 p -136.61 144.59 44.17 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.528 -0.732 . . . . 0.0 112.388 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -145.93 171.77 14.34 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.834 2.054 . . . . 0.0 109.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -126.96 142.19 51.61 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.108 0.963 . . . . 0.0 111.56 172.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 mm -128.74 111.92 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 126.754 2.022 . . . . 0.0 109.008 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.73 88.5 2.24 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 122.089 0.947 . . . . 0.0 110.731 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.454 HD12 ' H ' ' A' ' 18' ' ' ASP . 5.6 tp -99.67 146.05 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.981 1.712 . . . . 0.0 111.141 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.454 ' H ' HD12 ' A' ' 17' ' ' ILE . 5.2 m-20 -72.97 109.12 5.51 Favored Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 126.486 1.914 . . . . 0.0 110.63 176.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -70.43 -15.68 34.61 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.303 2.669 . . . . 0.0 112.927 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -69.13 -20.74 64.05 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.351 1.46 . . . . 0.0 112.602 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -93.01 -179.08 5.0 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.663 1.585 . . . . 0.0 112.255 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.6 p -97.33 175.22 6.34 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.631 1.172 . . . . 0.0 113.626 -173.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 53' ' ' LEU . 69.3 t -61.24 -31.87 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.193 0.997 . . . . 0.0 111.63 174.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -58.63 -38.46 78.12 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.786 -1.196 . . . . 0.0 112.106 170.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.02 78.2 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.776 0.716 . . . . 0.0 112.878 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.95 -54.21 45.71 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.931 1.241 . . . . 0.0 110.476 169.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -51.75 -42.91 62.68 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 170.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -45.22 95.32 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.637 1.108 . . . . 0.0 112.802 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -45.22 93.88 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.868 1.267 . . . . 0.0 111.873 174.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.36 -52.89 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.524 1.129 . . . . 0.0 110.739 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.96 -42.35 84.8 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.77 0.828 . . . . 0.0 111.847 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -59.81 -52.32 65.96 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.506 1.522 . . . . 0.0 112.438 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -70.67 -54.43 11.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.406 1.082 . . . . 0.0 112.759 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -78.86 -19.32 52.27 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.7 1.2 . . . . 0.0 113.862 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.61 141.29 3.91 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.174 1.845 . . . . 0.0 111.661 -169.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -66.84 -15.85 63.89 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.71 -36.84 85.19 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.435 1.094 . . . . 0.0 112.28 169.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.6 -50.84 6.02 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.781 1.232 . . . . 0.0 111.925 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -136.88 83.45 28.75 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.467 1.507 . . . . 0.0 111.419 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.63 154.46 64.29 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.387 2.058 . . . . 0.0 109.746 171.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.89 -45.4 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 120.375 -1.453 . . . . 0.0 111.324 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.07 65.76 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.57 -24.77 6.9 Favored Glycine 0 N--CA 1.476 1.321 0 C-N-CA 124.735 1.16 . . . . 0.0 114.993 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.89 149.53 29.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.498 1.149 . . . . 0.0 112.814 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -127.7 153.31 46.65 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.906 1.682 . . . . 0.0 110.237 169.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -126.03 122.47 35.95 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.905 2.082 . . . . 0.0 109.994 -169.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.82 120.88 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.453 1.501 . . . . 0.0 110.012 -170.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -129.36 146.11 51.29 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.681 1.192 . . . . 0.0 112.735 172.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.97 25.45 1.65 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.407 1.483 . . . . 0.0 114.331 -174.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.74 79.7 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.721 1.629 . . . . 0.0 115.433 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -125.59 149.31 48.49 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.131 1.772 . . . . 0.0 111.281 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.32 128.35 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.203 0.601 . . . . 0.0 110.156 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.449 ' HB3' HG21 ' A' ' 23' ' ' VAL . 28.1 mt -71.12 124.1 23.65 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.029 1.732 . . . . 0.0 110.943 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -72.25 124.25 24.67 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.221 1.008 . . . . 0.0 111.228 177.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.58 -49.78 45.17 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.279 1.832 . . . . 0.0 114.308 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.98 -9.72 59.24 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.71 1.204 . . . . 0.0 113.986 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.4 m -85.6 146.65 26.77 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.74 1.216 . . . . 0.0 110.945 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.8 156.3 34.65 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.06 -32.76 74.16 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.86 -25.72 65.27 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.968 1.307 . . . . 0.0 114.044 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -66.2 -15.73 63.41 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.607 1.163 . . . . 0.0 113.614 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -116.41 -2.43 12.06 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.738 1.615 . . . . 0.0 112.863 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 45.1 39.56 4.0 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.862 2.465 . . . . 0.0 114.054 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mt -58.72 142.58 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.121 1.369 . . . . 0.0 109.128 174.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -121.27 157.83 29.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.932 1.293 . . . . 0.0 111.378 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.55 -33.54 71.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -79.67 -32.65 41.5 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.178 1.391 . . . . 0.0 113.018 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -79.18 177.3 8.93 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.345 1.458 . . . . 0.0 111.192 173.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -130.89 145.2 51.94 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.906 -1.121 . . . . 0.0 113.55 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.84 164.45 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.631 1.972 . . . . 0.0 108.98 169.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.9 t -109.81 130.36 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.469 -0.77 . . . . 0.0 110.243 171.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.1 141.24 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 125.414 1.486 . . . . 0.0 109.37 171.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -135.93 164.66 27.45 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.099 0.959 . . . . 0.0 111.658 170.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.7 p -137.15 135.67 47.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 125.256 1.422 . . . . 0.0 109.74 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.3 p -80.16 170.88 15.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.495 1.118 . . . . 0.0 113.359 -174.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -126.73 162.1 49.21 Favored Pre-proline 0 N--CA 1.478 0.957 0 C-N-CA 125.868 1.667 . . . . 0.0 112.066 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -57.22 159.48 15.43 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 123.582 2.854 . . . . 0.0 116.02 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -137.21 11.73 3.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 127.405 2.282 . . . . 0.0 112.96 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.23 175.49 1.64 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.419 1.888 . . . . 0.0 114.806 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 t 65.1 87.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 128.358 2.663 . . . . 0.0 112.882 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.3 m -66.61 168.1 9.87 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.847 1.659 . . . . 0.0 113.745 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.6 p -68.57 164.25 46.61 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.562 1.545 . . . . 0.0 112.915 170.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -57.68 163.03 9.56 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 123.95 3.1 . . . . 0.0 115.474 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.82 123.21 76.36 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 125.855 1.662 . . . . 0.0 112.877 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -54.09 148.38 39.88 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.954 3.103 . . . . 0.0 114.823 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.77 -23.98 67.49 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.554 1.142 . . . . 0.0 114.03 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 33.1 p -63.87 -23.3 67.3 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.018 1.327 . . . . 0.0 113.908 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.5 mt -77.17 -33.62 56.5 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.698 1.199 . . . . 0.0 112.328 175.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -73.89 -46.33 45.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.449 1.1 . . . . 0.0 111.344 171.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 61.74 168.09 0.11 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 128.616 2.766 . . . . 0.0 114.962 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -82.89 165.28 19.9 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.866 1.266 . . . . 0.0 111.685 170.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -142.33 165.17 28.15 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.257 1.423 . . . . 0.0 111.901 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -137.39 167.92 20.66 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.706 1.202 . . . . 0.0 112.369 -172.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -137.79 170.24 16.39 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.92 1.688 . . . . 0.0 111.989 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 125.304 1.442 . . . . 0.0 112.521 175.07 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 34.2 m -62.74 161.08 13.07 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.076 1.35 . . . . 0.0 113.396 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -144.21 168.37 20.21 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.602 1.561 . . . . 0.0 112.426 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.27 172.96 7.33 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.651 1.58 . . . . 0.0 112.832 171.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 40.3 p -123.51 -0.49 8.68 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.158 1.383 . . . . 0.0 114.608 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 33.9 mm -51.51 -46.88 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.641 1.976 . . . . 0.0 113.55 -170.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 53.1 m -118.72 -4.03 10.77 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.032 1.333 . . . . 0.0 113.81 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -72.47 -20.23 61.42 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.923 1.689 . . . . 0.0 113.488 -171.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -20.19 61.85 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 173.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 59.99 -65.3 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 129.05 2.94 . . . . 0.0 115.06 -173.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -150.63 166.29 30.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.47 1.508 . . . . 0.0 112.581 -172.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -170.09 157.81 29.44 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.509 1.528 . . . . 0.0 112.69 171.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -70.05 -45.55 66.88 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.626 1.17 . . . . 0.0 113.115 -175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 75.1 p -141.69 167.97 20.88 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.566 1.947 . . . . 0.0 111.534 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -101.69 -8.27 46.23 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.777 1.179 . . . . 0.0 115.107 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 14.3 tp -151.07 129.22 5.93 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 126.398 1.879 . . . . 0.0 109.939 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -80.6 169.07 17.29 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.114 2.543 . . . . 0.0 112.365 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -80.92 46.26 0.88 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.626 1.57 . . . . 0.0 110.789 168.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 8.7 mp 71.74 -3.62 2.13 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 130.155 3.382 . . . . 0.0 115.815 171.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 49.5 m -59.41 -55.92 28.58 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 55.5 p -92.97 -6.06 49.27 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.45 1.5 . . . . 0.0 114.085 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.17 144.59 51.92 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.516 1.526 . . . . 0.0 112.206 -177.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 58.2 p -79.66 165.47 22.84 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.554 0.741 . . . . 0.0 111.709 171.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.39 -41.49 93.96 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.26 -0.9 . . . . 0.0 111.905 174.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.63 -41.03 98.3 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.719 0.808 . . . . 0.0 112.517 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -71.25 -35.78 71.53 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.411 -0.805 . . . . 0.0 112.598 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -59.0 -46.2 88.75 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.257 0.935 . . . . 0.0 111.369 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.08 -52.64 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.466 1.106 . . . . 0.0 110.817 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.44 76.29 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.52 1.055 . . . . 0.0 113.253 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -62.25 -43.59 98.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.074 0.95 . . . . 0.0 111.876 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . 0.425 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -56.73 -48.67 77.25 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.456 -0.777 . . . . 0.0 112.224 171.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 42.1 mtt -57.46 -45.12 85.12 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.775 1.23 . . . . 0.0 112.165 175.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -60.26 -40.27 89.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.991 0.916 . . . . 0.0 113.028 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 72.6 mtm -69.95 -41.49 74.47 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.273 -0.892 . . . . 0.0 111.635 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 10.9 t -58.68 -42.65 89.0 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.373 1.469 . . . . 0.0 113.092 174.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 37.7 mt -58.98 -38.98 80.39 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.796 1.638 . . . . 0.0 112.492 171.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -69.37 -36.8 77.2 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.59 -0.694 . . . . 0.0 112.671 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -61.15 -38.34 95.45 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 123.853 0.74 . . . . 0.0 112.97 169.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.94 -64.27 0.9 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.033 1.333 . . . . 0.0 112.866 173.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -152.59 -30.52 0.14 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -66.83 -10.28 46.27 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -171.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -84.63 -9.04 82.05 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.272 1.415 . . . . 0.0 114.307 172.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -127.03 -16.5 5.07 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.578 1.551 . . . . 0.0 114.131 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.05 153.91 39.35 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.177 0.991 . . . . 0.0 112.399 169.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -81.43 -28.82 34.09 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 33.9 m 54.72 13.64 0.74 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.477 2.311 . . . . 0.0 116.45 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -78.37 -9.4 59.26 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.499 1.52 . . . . 0.0 114.699 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.865 2.066 . . . . 0.0 114.456 177.053 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.6 ttp . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 121.669 0.747 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -90.0 74.23 7.28 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 125.414 1.486 . . . . 0.0 112.045 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -63.05 136.07 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.018 1.727 . . . . 0.0 110.481 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 m -84.94 137.14 33.29 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.678 -0.639 . . . . 0.0 110.198 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.39 150.51 32.59 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.739 2.015 . . . . 0.0 110.534 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -137.67 126.73 24.31 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.175 1.79 . . . . 0.0 111.114 170.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -80.22 168.55 18.94 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.808 1.243 . . . . 0.0 112.284 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 mt -66.79 -18.91 65.61 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.864 -1.148 . . . . 0.0 114.072 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -83.45 6.48 20.07 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.031 1.332 . . . . 0.0 111.534 169.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 54.04 35.83 23.09 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 128.033 2.533 . . . . 0.0 114.172 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -87.87 140.43 29.51 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 169.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -127.13 136.72 52.5 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.82 0.819 . . . . 0.0 112.425 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -148.88 179.04 8.15 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.961 2.105 . . . . 0.0 109.438 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -119.81 151.82 38.24 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.725 0.81 . . . . 0.0 112.013 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 mm -131.11 108.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 127.128 2.171 . . . . 0.0 108.699 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -78.34 90.8 4.4 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.447 0.642 . . . . 0.0 110.799 170.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -106.28 145.72 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.212 1.805 . . . . 0.0 110.945 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -73.16 115.68 43.13 Favored Pre-proline 0 CA--C 1.553 1.065 0 O-C-N 121.028 -1.045 . . . . 0.0 110.782 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -72.24 -15.43 28.51 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.025 2.484 . . . . 0.0 114.123 -174.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -78.56 -18.19 55.01 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.268 0.94 . . . . 0.0 112.195 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -79.92 177.75 8.7 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.866 1.266 . . . . 0.0 112.134 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 43.7 p -93.41 174.57 7.14 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 122.397 1.094 . . . . 0.0 113.897 -174.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' A' ' 53' ' ' LEU . 76.7 t -61.76 -32.01 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.248 -0.908 . . . . 0.0 111.7 173.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -58.71 -36.5 74.36 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.038 -1.039 . . . . 0.0 112.018 170.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.43 77.95 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 tp -53.73 -54.95 30.85 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 120.693 -1.254 . . . . 0.0 110.347 169.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -51.18 -43.81 61.39 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.273 1.029 . . . . 0.0 113.431 170.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -46.18 89.05 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.436 1.016 . . . . 0.0 112.575 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -66.69 -38.47 86.83 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.892 0.877 . . . . 0.0 112.183 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.3 mt -60.39 -49.41 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.161 0.985 . . . . 0.0 110.825 170.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.24 -43.63 92.37 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.461 0.705 . . . . 0.0 111.514 177.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.6 t -60.39 -45.36 93.83 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.803 1.241 . . . . 0.0 112.51 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -67.61 -55.73 12.2 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.777 1.231 . . . . 0.0 112.724 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -88.68 -18.41 27.95 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 153.3 27.85 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 127.066 2.27 . . . . 0.0 113.366 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -62.96 -29.34 70.73 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.729 1.212 . . . . 0.0 113.252 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.71 -33.29 75.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.22 1.008 . . . . 0.0 112.611 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.09 -54.48 4.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.696 1.198 . . . . 0.0 112.058 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -139.61 77.4 28.25 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.109 1.364 . . . . 0.0 111.725 -172.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -72.11 142.29 37.86 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.829 2.352 . . . . 0.0 110.292 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.7 t -51.11 -46.87 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 120.872 -1.143 . . . . 0.0 111.751 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.99 -16.43 63.89 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.54 -21.28 7.66 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.531 1.539 . . . . 0.0 114.492 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -67.98 143.92 55.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.325 1.05 . . . . 0.0 113.319 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -131.83 138.43 48.49 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.523 1.929 . . . . 0.0 107.834 168.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -120.82 127.1 51.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.558 1.943 . . . . 0.0 110.332 -169.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.08 126.04 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.256 1.422 . . . . 0.0 110.235 -170.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -132.16 134.83 45.86 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.061 1.344 . . . . 0.0 110.733 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.36 34.7 6.78 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.21 15.83 76.88 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.211 1.862 . . . . 0.0 115.706 -177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -121.58 136.37 54.95 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.312 1.845 . . . . 0.0 110.323 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 mt -77.99 127.43 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.563 0.696 . . . . 0.0 109.747 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' HB3' HG21 ' A' ' 23' ' ' VAL . 30.3 mt -66.66 116.87 8.06 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.236 1.814 . . . . 0.0 110.36 177.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -69.88 124.63 24.5 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.175 0.99 . . . . 0.0 111.309 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.44 -50.12 42.27 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.253 1.821 . . . . 0.0 114.462 -172.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.38 -14.55 59.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.702 1.201 . . . . 0.0 113.941 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.2 m -79.66 146.7 32.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.851 1.26 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.97 159.03 31.28 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.49 -32.49 70.03 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.089 -1.007 . . . . 0.0 113.51 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -57.98 -25.93 61.67 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.785 1.234 . . . . 0.0 114.033 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -66.13 -18.3 65.26 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.779 1.232 . . . . 0.0 113.785 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -113.4 -3.28 13.78 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.635 1.574 . . . . 0.0 112.731 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 43.51 43.29 4.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.986 2.514 . . . . 0.0 113.654 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.2 mt -59.97 139.71 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.251 1.421 . . . . 0.0 109.345 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -109.01 158.65 17.52 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.482 1.113 . . . . 0.0 111.627 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -70.65 -39.86 73.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.004 0.921 . . . . 0.0 112.689 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -80.11 -31.65 39.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.099 1.36 . . . . 0.0 112.774 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -75.26 169.21 18.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.034 0.534 . . . . 0.0 110.872 170.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -116.27 149.22 39.58 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.883 0.873 . . . . 0.0 113.174 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.77 157.6 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.288 1.835 . . . . 0.0 108.549 169.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.7 t -105.36 129.09 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 121.859 -0.526 . . . . 0.0 110.097 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.1 p -115.25 137.18 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.393 1.477 . . . . 0.0 110.272 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.11 163.07 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.383 1.473 . . . . 0.0 111.055 173.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.1 p -130.99 107.61 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.091 1.356 . . . . 0.0 108.921 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.2 p -73.92 138.37 44.23 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -169.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -67.87 159.9 76.73 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 125.934 1.694 . . . . 0.0 112.555 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -57.32 164.15 7.28 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.76 2.973 . . . . 0.0 114.848 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -130.73 -4.91 4.09 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.85 1.66 . . . . 0.0 114.473 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -153.27 169.57 22.73 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.054 1.742 . . . . 0.0 112.345 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.81 -16.63 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.646 1.579 . . . . 0.0 113.99 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.8 p -158.22 169.59 24.17 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.255 1.822 . . . . 0.0 111.757 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 p -71.59 159.26 86.03 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 124.773 1.229 . . . . 0.0 111.827 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.8 159.03 53.93 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 122.77 2.314 . . . . 0.0 111.882 172.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.4 149.94 97.15 Favored Pre-proline 0 CA--C 1.554 1.102 0 C-N-CA 123.553 0.741 . . . . 0.0 112.584 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -57.22 162.0 10.32 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.792 2.995 . . . . 0.0 114.014 169.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.48 151.69 46.45 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.818 0.847 . . . . 0.0 112.571 173.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.4 p -142.65 -175.1 4.34 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.685 1.994 . . . . 0.0 110.894 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -64.53 -7.77 11.43 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -53.9 137.99 37.55 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.778 1.172 . . . . 0.0 111.336 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.7 t60 62.66 -24.43 0.05 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.386 2.674 . . . . 0.0 115.989 -174.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -72.95 -46.25 53.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.626 1.57 . . . . 0.0 111.178 170.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -67.67 158.71 31.58 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.854 1.662 . . . . 0.0 111.197 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -66.27 161.62 21.85 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.377 -0.827 . . . . 0.0 112.672 173.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -70.78 165.95 22.01 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.383 1.073 . . . . 0.0 112.701 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.9 t60 . . . . . 0 C--O 1.255 1.371 0 C-N-CA 125.692 1.597 . . . . 0.0 112.59 176.605 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.514 -0.635 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 20.5 m -58.07 -23.6 55.21 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -58.64 -19.32 38.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.295 1.438 . . . . 0.0 114.043 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 25.3 ttt -69.56 -13.23 62.22 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.511 1.524 . . . . 0.0 113.919 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 10.4 t -59.97 149.7 31.16 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 10.2 tp -83.27 -20.99 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.362 1.465 . . . . 0.0 113.152 175.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 92.6 p -61.71 -22.39 65.31 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -169.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -68.57 -21.72 64.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.758 1.223 . . . . 0.0 113.349 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -80.13 87.7 5.47 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.694 1.198 . . . . 0.0 111.78 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -140.13 162.61 34.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.199 1.4 . . . . 0.0 112.544 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -83.3 -21.16 33.32 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 69.98 5.27 52.08 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 125.18 1.372 . . . . 0.0 115.429 -176.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -63.47 114.99 4.23 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.182 1.793 . . . . 0.0 112.105 -176.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 10.5 t -141.34 178.47 7.4 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.318 1.847 . . . . 0.0 110.911 172.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -161.52 165.7 35.67 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.032 1.301 . . . . 0.0 113.634 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -87.63 159.11 50.24 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 125.391 1.476 . . . . 0.0 112.113 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.6 177.99 6.2 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.189 2.593 . . . . 0.0 112.803 170.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -76.6 46.55 0.45 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.024 1.729 . . . . 0.0 110.967 168.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 4.7 mt 66.02 -13.65 0.15 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 131.139 3.776 . . . . 0.0 117.043 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 22.0 t -53.6 -54.97 29.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.526 1.13 . . . . 0.0 113.348 -174.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 20.3 m -77.83 -13.17 59.97 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 73.4 mtm -84.45 136.07 34.0 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.218 1.007 . . . . 0.0 112.093 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 72.5 p -68.65 173.02 5.5 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.797 1.239 . . . . 0.0 111.674 169.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.7 -47.78 70.16 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.397 -0.815 . . . . 0.0 111.416 169.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.36 -40.02 95.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.586 0.754 . . . . 0.0 112.91 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -65.83 -44.46 85.47 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.513 -0.742 . . . . 0.0 112.101 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -62.04 -42.3 99.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.564 0.746 . . . . 0.0 112.147 174.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.62 -52.05 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 124.32 1.048 . . . . 0.0 110.764 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.8 76.46 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.898 1.227 . . . . 0.0 112.841 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -61.63 -49.16 77.69 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.605 -0.684 . . . . 0.0 111.439 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -55.44 -44.19 76.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.137 0.975 . . . . 0.0 113.411 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 46.4 mtt -56.07 -59.8 4.39 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.126 1.37 . . . . 0.0 110.898 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -54.28 -40.92 68.31 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.55 0.74 . . . . 0.0 112.361 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 39.8 ttp -61.64 -48.76 79.38 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.671 0.669 . . . . 0.0 112.159 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 54.7 p -63.15 -40.13 96.68 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 172.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.89 -39.76 95.48 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.536 1.535 . . . . 0.0 112.591 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -65.6 -18.36 65.26 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.344 -0.847 . . . . 0.0 113.274 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -66.16 -19.1 67.82 Favored Glycine 0 CA--C 1.542 1.778 0 C-N-CA 124.072 0.844 . . . . 0.0 113.646 169.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -99.23 6.85 46.16 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.96 2.104 . . . . 0.0 113.325 170.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 95.11 1.08 0.05 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 131.299 3.84 . . . . 0.0 113.474 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -63.11 116.54 5.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -178.59 161.88 28.72 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.744 1.64 . . . . 0.0 112.305 169.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -80.73 75.57 7.64 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.268 1.027 . . . . 0.0 110.659 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.26 68.35 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.668 1.187 . . . . 0.0 113.928 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -151.12 168.08 25.74 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.992 1.717 . . . . 0.0 111.899 174.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 14.7 t -79.94 89.59 5.31 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.303 1.041 . . . . 0.0 110.829 172.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -143.84 177.3 8.62 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.911 1.684 . . . . 0.0 112.359 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.2 t70 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 127.019 2.128 . . . . 0.0 112.725 -179.618 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.484 1.245 0 CA-C-O 121.574 0.702 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -85.99 76.44 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 125.045 1.338 . . . . 0.0 111.631 -172.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.26 131.78 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.109 1.363 . . . . 0.0 109.904 173.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.6 m -79.99 134.83 36.27 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.859 -0.526 . . . . 0.0 109.676 169.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.59 150.87 26.9 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.381 1.472 . . . . 0.0 110.938 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -138.84 133.74 32.42 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.698 1.599 . . . . 0.0 111.707 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 p -91.85 168.82 11.17 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.36 1.464 . . . . 0.0 112.467 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' B' ' 290' ' ' ALA . 31.4 mt -66.66 -23.96 66.22 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -78.8 8.25 5.76 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.526 1.53 . . . . 0.0 112.06 169.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 57.01 28.1 14.29 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.73 2.412 . . . . 0.0 114.118 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -89.28 151.59 22.03 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.403 1.081 . . . . 0.0 109.441 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.0 p -131.73 142.21 49.73 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.9 0.857 . . . . 0.0 113.032 -173.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -144.46 -178.5 6.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.02 2.128 . . . . 0.0 110.331 -172.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.35 149.42 52.56 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.136 -0.978 . . . . 0.0 111.917 171.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mm -133.67 110.37 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.785 2.034 . . . . 0.0 108.968 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -77.7 93.86 4.34 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.422 0.63 . . . . 0.0 110.753 170.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.3 tp -110.71 147.79 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.522 1.929 . . . . 0.0 111.346 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -76.77 116.21 54.83 Favored Pre-proline 0 CA--C 1.554 1.133 0 O-C-N 121.055 -1.028 . . . . 0.0 111.13 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.29 -13.29 25.56 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.294 2.663 . . . . 0.0 114.852 -173.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.85 -15.37 48.44 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.488 1.04 . . . . 0.0 112.64 172.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -77.48 173.86 11.5 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.375 1.084 . . . . 0.0 112.02 170.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 49.4 p -88.51 172.91 8.99 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 122.144 0.973 . . . . 0.0 113.331 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 53' ' ' LEU . 73.5 t -57.51 -30.68 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.431 1.092 . . . . 0.0 111.788 174.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -59.07 -33.46 70.83 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.92 -1.113 . . . . 0.0 113.196 172.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.52 -38.48 71.09 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.011 0.823 . . . . 0.0 112.853 172.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.8 tp -54.18 -54.12 44.14 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.395 -1.44 . . . . 0.0 110.399 169.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -51.88 -42.78 62.93 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.107 1.363 . . . . 0.0 113.511 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -46.41 89.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.155 0.982 . . . . 0.0 112.553 175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.52 -41.02 96.65 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.49 0.716 . . . . 0.0 111.907 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.64 -48.78 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.876 0.87 . . . . 0.0 110.819 174.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.46 -46.02 89.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.198 0.599 . . . . 0.0 111.542 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.1 t -58.26 -48.21 81.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.62 1.168 . . . . 0.0 112.532 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -66.79 -58.62 4.7 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.151 1.38 . . . . 0.0 112.832 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -81.84 -17.1 48.62 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.26 148.99 21.39 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 127.063 2.268 . . . . 0.0 112.863 -174.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -62.19 -27.79 69.22 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.571 1.148 . . . . 0.0 113.149 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -66.45 -35.02 79.25 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.496 1.118 . . . . 0.0 112.673 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.37 -49.8 6.15 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.512 1.125 . . . . 0.0 112.37 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -136.33 74.36 54.81 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.874 1.269 . . . . 0.0 111.618 -174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.44 142.93 50.74 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 122.58 2.186 . . . . 0.0 109.848 173.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.46 -44.08 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.721 -1.237 . . . . 0.0 111.39 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.25 -18.74 63.88 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.49 -22.41 5.8 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.867 1.698 . . . . 0.0 114.644 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -64.34 148.1 51.09 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.709 1.204 . . . . 0.0 113.135 175.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -134.64 145.63 48.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 127.637 2.375 . . . . 0.0 107.587 168.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.51 123.88 34.67 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 126.352 1.861 . . . . 0.0 110.091 -169.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 mp -131.46 125.86 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.695 1.198 . . . . 0.0 110.39 -171.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -130.34 141.56 50.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.827 1.251 . . . . 0.0 111.306 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.56 27.18 1.38 Allowed 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.62 82.82 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.552 2.025 . . . . 0.0 116.072 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -121.7 138.49 54.33 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.134 1.467 . . . . 0.0 111.831 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -72.76 125.49 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.763 0.825 . . . . 0.0 109.896 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.421 ' HB3' HG21 ' A' ' 23' ' ' VAL . 31.9 mt -68.08 118.22 10.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.393 1.877 . . . . 0.0 110.726 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -68.52 127.07 31.66 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.893 0.877 . . . . 0.0 111.327 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -56.26 -41.01 75.11 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -170.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.87 -12.31 57.52 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.876 1.27 . . . . 0.0 113.76 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.4 m -82.29 148.1 28.53 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.92 1.288 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.509 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -77.12 156.82 31.39 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.736 1.014 . . . . 0.0 113.736 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.64 -31.15 71.65 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.34 -0.85 . . . . 0.0 112.75 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -47.61 -40.8 20.42 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.778 2.031 . . . . 0.0 113.2 170.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.99 -21.19 66.81 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.419 1.487 . . . . 0.0 114.095 -173.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -110.45 -1.0 17.25 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.913 1.685 . . . . 0.0 112.534 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 mptt 48.26 36.83 7.38 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.897 2.479 . . . . 0.0 113.686 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.25 133.68 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.432 1.493 . . . . 0.0 109.841 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.0 159.13 15.79 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.217 1.007 . . . . 0.0 111.458 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.14 -42.58 75.79 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.366 -0.834 . . . . 0.0 112.657 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -75.81 -33.93 60.13 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.905 1.282 . . . . 0.0 112.913 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -79.0 167.33 21.26 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.196 0.598 . . . . 0.0 110.962 172.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -114.19 144.31 43.41 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.59 155.77 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.935 1.694 . . . . 0.0 107.69 168.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.5 t -106.66 130.06 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.684 -0.635 . . . . 0.0 110.006 172.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.51 134.9 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 125.445 1.498 . . . . 0.0 110.242 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.5 ptm -133.24 167.16 20.87 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 124.993 1.317 . . . . 0.0 111.177 169.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.5 p -136.87 117.86 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 125.001 1.32 . . . . 0.0 109.276 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.2 p -72.15 152.3 42.39 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.483 -0.761 . . . . 0.0 111.838 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt 26.39 72.36 0.39 Allowed Pre-proline 0 N--CA 1.483 1.214 0 C-N-CA 128.361 2.664 . . . . 0.0 115.175 -173.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -55.67 163.38 5.43 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 124.087 3.191 . . . . 0.0 116.426 -175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -126.94 -0.61 6.59 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.824 2.05 . . . . 0.0 113.822 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.02 23.47 3.55 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.29 1.836 . . . . 0.0 114.232 -170.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -66.27 164.99 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.0 1.32 . . . . 0.0 112.726 172.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.7 m -67.55 -12.45 60.41 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.09 1.756 . . . . 0.0 115.437 -172.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.5 p -126.47 166.03 24.46 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 127.999 2.52 . . . . 0.0 110.238 174.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -46.35 111.37 0.35 Allowed 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.798 2.999 . . . . 0.0 113.291 171.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.76 160.03 39.6 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.178 1.391 . . . . 0.0 111.871 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -64.11 -17.95 61.69 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.03 1.82 . . . . 0.0 114.4 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.41 -14.65 61.75 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.9 2.08 . . . . 0.0 114.525 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.5 p -128.47 -31.21 2.28 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.136 1.374 . . . . 0.0 113.748 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 tt -60.41 -23.86 64.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.122 1.769 . . . . 0.0 112.826 172.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.45 -17.92 47.84 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 170.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -112.03 -54.59 2.6 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.314 1.845 . . . . 0.0 110.778 170.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -80.38 50.69 1.31 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.074 1.749 . . . . 0.0 112.368 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -63.04 -18.96 63.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.48 1.512 . . . . 0.0 114.04 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -67.21 -14.88 63.32 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.427 1.491 . . . . 0.0 114.281 172.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 64.37 -6.45 0.28 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 127.865 2.466 . . . . 0.0 115.917 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 73.6 m80 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.546 1.938 . . . . 0.0 112.382 -172.662 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 32.4 m -77.82 70.59 4.21 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.322 1.449 . . . . 0.0 112.097 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -63.4 -19.32 64.57 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -171.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -75.73 -47.01 27.87 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.52 1.128 . . . . 0.0 111.633 170.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 8.2 m -74.04 -36.91 64.44 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.08 1.752 . . . . 0.0 113.332 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 9.4 tp -63.09 162.28 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 125.013 1.325 . . . . 0.0 112.757 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 47.1 m -54.59 113.04 1.15 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.559 1.544 . . . . 0.0 112.453 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -75.54 -10.61 59.6 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -140.06 174.54 10.42 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.075 1.35 . . . . 0.0 113.215 177.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -98.58 173.05 7.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.045 1.738 . . . . 0.0 111.894 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -75.98 -178.32 4.3 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.238 1.415 . . . . 0.0 112.58 171.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -71.75 53.11 1.26 Allowed Glycine 0 CA--C 1.539 1.556 0 C-N-CA 126.521 2.01 . . . . 0.0 115.884 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -62.18 -21.54 65.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.738 2.015 . . . . 0.0 114.309 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 21.4 p -75.04 -6.68 50.74 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.685 1.994 . . . . 0.0 114.998 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -66.77 170.35 32.62 Favored Glycine 0 CA--C 1.541 1.663 0 C-N-CA 124.649 1.118 . . . . 0.0 115.578 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.6 140.72 96.92 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.518 1.527 . . . . 0.0 111.357 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -59.59 162.93 14.01 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.106 2.537 . . . . 0.0 114.689 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -81.51 51.13 1.6 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.913 1.285 . . . . 0.0 109.376 168.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 12.9 mt 69.37 -4.73 1.26 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.925 2.89 . . . . 0.0 114.78 -169.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 2.9 m -53.79 -51.95 61.84 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.316 1.846 . . . . 0.0 115.15 -169.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 19.2 m -100.12 -4.56 29.45 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.825 1.25 . . . . 0.0 113.903 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 73.9 mtm -84.91 129.35 34.82 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.032 1.333 . . . . 0.0 111.71 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 72.5 p -65.06 169.09 5.74 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.319 1.047 . . . . 0.0 111.812 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -53.34 -44.52 68.55 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.919 -1.113 . . . . 0.0 112.406 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.09 -39.41 93.13 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.137 0.975 . . . . 0.0 113.058 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -67.63 -42.67 81.95 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.293 -0.879 . . . . 0.0 112.334 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -60.74 -43.2 98.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.914 0.886 . . . . 0.0 111.421 173.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 48.9 mt -57.6 -52.65 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.498 1.119 . . . . 0.0 111.421 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.86 -33.08 73.54 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.705 1.139 . . . . 0.0 113.513 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -61.98 -48.87 78.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.596 1.159 . . . . 0.0 111.266 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -55.6 -44.17 76.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.931 0.892 . . . . 0.0 113.202 171.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 49.2 mtt -56.78 -56.36 22.55 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.899 1.28 . . . . 0.0 111.814 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -54.85 -40.33 69.52 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.727 0.811 . . . . 0.0 112.693 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.9 -54.04 47.4 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.917 0.78 . . . . 0.0 111.965 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 79.5 p -63.84 -34.32 77.66 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 65.4 tp -63.13 -36.87 85.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.418 1.887 . . . . 0.0 112.361 173.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -69.64 -36.77 76.39 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.33 0.652 . . . . 0.0 112.034 171.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.64 -36.06 90.76 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 123.512 0.577 . . . . 0.0 112.769 169.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -73.02 -73.15 0.21 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.091 1.756 . . . . 0.0 113.532 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -147.09 -9.36 0.45 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -170.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -80.87 -3.24 50.61 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 172.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -62.14 95.08 0.11 Allowed Glycine 0 CA--C 1.538 1.526 0 C-N-CA 126.412 1.958 . . . . 0.0 113.491 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -63.4 176.78 0.75 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.296 1.838 . . . . 0.0 114.68 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . 54.6 -153.92 0.29 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.17 1.788 . . . . 0.0 112.987 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.86 108.04 1.37 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.582 1.153 . . . . 0.0 111.939 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 16.5 m -65.2 163.03 15.97 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.566 1.547 . . . . 0.0 113.982 -177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -65.08 -20.72 66.61 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 127.376 2.27 . . . . 0.0 112.324 177.045 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ptm . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.762 0.315 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -87.59 80.35 8.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.138 0.975 . . . . 0.0 111.137 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.11 123.82 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.981 0.912 . . . . 0.0 109.279 173.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.3 m -79.32 139.41 37.82 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.042 0.448 . . . . 0.0 109.844 170.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.6 mt -116.47 153.99 31.16 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 125.615 1.566 . . . . 0.0 111.382 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -133.79 130.6 38.22 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 126.065 1.746 . . . . 0.0 109.986 169.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 p -87.28 169.11 12.59 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.823 1.249 . . . . 0.0 111.667 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -70.22 -18.68 63.17 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.047 -1.033 . . . . 0.0 113.42 171.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -81.92 5.24 19.66 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.263 1.425 . . . . 0.0 111.756 169.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 58.97 28.88 18.23 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.989 2.516 . . . . 0.0 114.454 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -86.36 153.6 21.82 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.881 0.872 . . . . 0.0 108.976 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 p -133.55 140.71 47.34 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.514 -0.741 . . . . 0.0 112.711 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -144.78 171.56 14.24 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.568 1.947 . . . . 0.0 110.789 -172.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -125.6 143.34 51.06 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.553 1.141 . . . . 0.0 111.408 169.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.1 mm -130.66 111.62 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.551 1.94 . . . . 0.0 109.245 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -73.59 97.44 2.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.299 0.64 . . . . 0.0 111.008 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.429 HD12 ' H ' ' A' ' 18' ' ' ASP . 6.2 tp -109.8 147.07 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 126.388 1.875 . . . . 0.0 112.126 -175.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.429 ' H ' HD12 ' A' ' 17' ' ' ILE . 12.0 m-20 -78.01 111.48 18.51 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.172 1.789 . . . . 0.0 111.182 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.4 -21.55 35.02 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.131 2.554 . . . . 0.0 114.025 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.77 -16.66 61.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.809 1.244 . . . . 0.0 112.889 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -86.35 179.0 6.97 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.84 1.256 . . . . 0.0 111.705 170.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 47.8 p -94.43 176.32 6.34 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -174.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 53' ' ' LEU . 71.3 t -59.79 -33.46 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 121.061 -1.024 . . . . 0.0 111.496 171.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.85 -31.86 70.15 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.159 -0.963 . . . . 0.0 112.397 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.76 -35.38 65.0 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -55.19 -54.06 48.09 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.675 -1.266 . . . . 0.0 109.499 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -50.67 -44.91 57.85 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.335 1.454 . . . . 0.0 113.735 169.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -41.59 99.0 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.99 1.268 . . . . 0.0 113.173 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -65.51 -39.88 92.36 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.695 1.198 . . . . 0.0 111.876 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.1 -49.83 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.392 1.077 . . . . 0.0 110.722 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.94 -42.57 85.18 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.095 0.861 . . . . 0.0 111.61 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -61.25 -44.28 97.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.513 1.525 . . . . 0.0 112.855 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.01 -57.66 3.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.603 1.161 . . . . 0.0 112.74 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -80.44 -18.46 48.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.706 1.603 . . . . 0.0 113.923 -171.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.52 134.26 5.73 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 126.527 2.013 . . . . 0.0 113.555 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -56.18 -22.0 26.41 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.914 2.486 . . . . 0.0 114.619 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.5 -29.85 69.34 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.865 1.266 . . . . 0.0 113.386 171.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.99 -36.3 3.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.107 1.363 . . . . 0.0 113.18 -173.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -134.5 68.72 72.79 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.65 1.58 . . . . 0.0 111.59 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.57 144.93 51.08 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.561 2.174 . . . . 0.0 110.676 174.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.4 t -52.22 -43.71 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.648 1.179 . . . . 0.0 111.284 174.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.61 -15.0 62.31 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.63 -23.46 4.37 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.243 1.402 . . . . 0.0 114.911 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.61 144.86 56.69 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.855 1.328 . . . . 0.0 113.339 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -130.34 143.98 51.1 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.457 1.903 . . . . 0.0 108.315 168.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 123.49 38.4 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.305 1.842 . . . . 0.0 110.256 -169.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.85 128.89 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.752 1.221 . . . . 0.0 111.007 -170.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -131.67 140.99 49.48 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.676 1.19 . . . . 0.0 111.482 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.79 33.08 4.05 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.21 18.2 79.74 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 126.608 2.051 . . . . 0.0 115.525 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -128.65 129.88 46.46 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.388 1.875 . . . . 0.0 110.761 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -67.81 126.11 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 121.429 0.633 . . . . 0.0 110.339 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HB3' HG21 ' A' ' 23' ' ' VAL . 30.7 mt -67.21 119.64 12.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.118 1.767 . . . . 0.0 110.248 175.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -68.88 126.17 28.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.578 0.751 . . . . 0.0 111.259 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.64 -49.42 65.2 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.842 1.657 . . . . 0.0 113.965 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.98 -13.5 60.24 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.237 1.415 . . . . 0.0 113.909 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.0 m -81.68 146.51 29.99 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.23 . . . . 0.0 110.795 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.59 158.26 31.28 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.84 -29.59 66.89 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.098 -1.001 . . . . 0.0 113.205 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.11 -21.27 61.33 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.173 1.389 . . . . 0.0 113.935 173.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -73.01 -14.59 61.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.053 1.341 . . . . 0.0 113.673 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -119.24 -4.05 10.52 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.309 1.443 . . . . 0.0 113.297 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 46.92 37.12 4.55 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.876 2.47 . . . . 0.0 114.166 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.3 mt -59.5 141.26 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.686 1.594 . . . . 0.0 110.31 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -103.66 163.81 12.08 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.237 1.415 . . . . 0.0 111.978 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -85.25 -39.52 17.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.394 1.078 . . . . 0.0 112.908 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -76.2 -39.33 54.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.717 1.607 . . . . 0.0 111.969 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -76.31 164.46 26.01 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.859 1.264 . . . . 0.0 110.589 171.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -116.36 147.87 41.17 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -175.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.99 165.17 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 127.866 2.467 . . . . 0.0 107.97 169.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.8 t -111.81 126.81 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.161 -0.962 . . . . 0.0 111.026 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.63 136.69 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.389 1.476 . . . . 0.0 109.726 171.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -137.76 169.96 16.89 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.037 1.335 . . . . 0.0 111.153 170.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.17 129.4 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.642 1.177 . . . . 0.0 109.686 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.8 p -112.23 158.34 19.82 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -169.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -126.94 94.87 38.46 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 127.396 2.278 . . . . 0.0 108.775 169.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -53.92 166.42 1.49 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 124.551 3.501 . . . . 0.0 116.041 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -67.74 -1.25 5.02 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.323 1.849 . . . . 0.0 114.855 171.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.1 172.92 12.21 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.837 2.055 . . . . 0.0 112.322 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -69.83 18.35 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 127.736 2.415 . . . . 0.0 115.101 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -62.78 -33.21 74.71 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.258 1.823 . . . . 0.0 114.794 -173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 p -74.78 160.95 79.68 Favored Pre-proline 0 N--CA 1.48 1.072 0 C-N-CA 124.711 1.205 . . . . 0.0 113.001 175.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -52.98 150.66 22.89 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.898 3.065 . . . . 0.0 115.501 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.96 165.56 46.2 Favored Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 125.512 1.525 . . . . 0.0 113.041 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.12 153.62 20.66 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.954 3.103 . . . . 0.0 114.613 173.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.98 -16.94 60.61 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.5 t -149.57 -179.78 7.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.631 1.572 . . . . 0.0 112.015 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.4 161.65 13.82 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.618 1.567 . . . . 0.0 114.331 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.57 -24.31 65.32 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -175.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -59.35 -27.13 65.66 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.844 1.258 . . . . 0.0 113.278 177.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -68.21 -28.25 67.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.481 1.113 . . . . 0.0 113.253 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -81.15 68.97 7.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.307 1.443 . . . . 0.0 110.882 176.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -58.79 -46.12 88.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.655 1.582 . . . . 0.0 113.289 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -151.07 173.68 14.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.418 1.887 . . . . 0.0 111.783 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.573 1.549 . . . . 0.0 112.137 -177.025 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 37.0 m -64.86 164.88 11.6 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.199 1.4 . . . . 0.0 113.478 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -66.17 167.68 9.74 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.632 1.173 . . . . 0.0 113.254 171.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 16.2 tpt -62.11 -37.39 84.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.43 1.492 . . . . 0.0 114.259 -171.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 5.9 m 47.82 63.59 1.96 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.465 1.906 . . . . 0.0 112.794 -178.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 47.6 pt -63.59 155.28 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.876 0.871 . . . . 0.0 112.415 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 55.6 p -69.81 -19.85 63.47 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -59.71 -28.15 67.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.878 1.271 . . . . 0.0 114.38 -174.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -3.8 54.92 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -75.96 -38.61 57.33 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.343 -0.848 . . . . 0.0 112.786 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 59.41 -55.43 0.06 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 129.174 2.989 . . . . 0.0 115.497 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 75.36 -46.59 1.92 Allowed Glycine 0 CA--C 1.537 1.456 0 C-N-CA 127.083 2.277 . . . . 0.0 115.65 172.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -71.85 -27.67 63.04 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.757 1.623 . . . . 0.0 113.312 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 12.0 t -66.71 156.94 33.97 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.479 1.112 . . . . 0.0 112.529 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 69.97 10.73 65.47 Favored Glycine 0 CA--C 1.539 1.556 0 N-CA-C 116.24 1.256 . . . . 0.0 116.24 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.77 132.38 91.6 Favored Pre-proline 0 CA--C 1.554 1.097 0 CA-C-N 119.05 1.425 . . . . 0.0 111.679 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.46 164.29 13.43 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.587 2.858 . . . . 0.0 115.328 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -84.22 54.81 3.09 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.816 1.246 . . . . 0.0 108.054 168.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.2 mp 62.58 -0.81 0.5 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 129.024 2.93 . . . . 0.0 115.213 -169.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 6.2 m -53.65 -56.66 15.28 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.214 1.806 . . . . 0.0 114.187 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 18.7 m -100.43 -8.29 23.39 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 50.6 mtm -70.19 124.94 25.36 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 56.5 m -63.79 161.25 15.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.09 1.356 . . . . 0.0 110.508 169.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -50.85 -44.79 59.59 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.935 -1.103 . . . . 0.0 112.843 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.06 -35.65 79.26 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.128 0.971 . . . . 0.0 113.243 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -73.4 -42.4 62.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.221 1.008 . . . . 0.0 111.406 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.36 -43.37 92.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.061 0.944 . . . . 0.0 111.647 171.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 53.3 mt -58.36 -53.63 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.67 1.188 . . . . 0.0 110.94 171.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.88 75.87 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 120.115 1.325 . . . . 0.0 113.413 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -61.55 -45.93 92.06 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.461 1.104 . . . . 0.0 111.668 169.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -56.97 -46.84 81.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.897 0.879 . . . . 0.0 112.851 171.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 44.5 mtt -55.59 -52.04 65.11 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.269 1.428 . . . . 0.0 111.61 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -55.66 -45.53 77.68 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.62 0.768 . . . . 0.0 112.624 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.8 mtm -64.37 -44.1 92.45 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.863 0.756 . . . . 0.0 112.202 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 36.5 p -66.49 -27.88 68.13 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.03 -42.04 97.23 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.662 1.185 . . . . 0.0 111.441 171.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -68.93 -40.9 78.76 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.178 0.591 . . . . 0.0 111.915 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.65 -29.82 70.79 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.434 1.016 . . . . 0.0 114.011 173.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -73.45 -73.72 0.2 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.814 1.646 . . . . 0.0 111.979 170.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -157.44 1.33 0.12 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -171.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 65.63 -59.96 0.28 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 128.146 2.579 . . . . 0.0 113.412 -169.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -65.76 -10.44 50.25 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 126.094 1.807 . . . . 0.0 116.615 -170.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.59 -21.51 63.59 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.216 1.508 . . . . 0.0 113.08 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -58.5 104.31 0.21 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.752 1.621 . . . . 0.0 112.439 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 63.42 -44.4 0.23 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 129.31 3.044 . . . . 0.0 115.573 -175.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 6.3 t -62.0 -16.08 48.83 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.0 1.72 . . . . 0.0 114.681 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -69.22 -14.11 62.78 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.537 1.535 . . . . 0.0 114.322 177.633 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptm . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.646 0.26 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -86.81 88.24 7.64 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.142 0.977 . . . . 0.0 110.585 -176.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.1 t -68.51 121.14 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.303 1.041 . . . . 0.0 109.067 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.5 m -79.15 141.42 37.26 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 170.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.1 mt -119.5 151.78 38.03 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.803 1.641 . . . . 0.0 111.501 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.6 tttt -132.18 125.35 30.98 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.03 1.732 . . . . 0.0 110.522 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 p -82.94 164.65 20.3 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.289 1.436 . . . . 0.0 111.401 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' B' ' 290' ' ' ALA . 34.7 mt -70.71 -21.11 62.6 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.19 -0.944 . . . . 0.0 113.319 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -76.15 6.07 5.92 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.256 1.422 . . . . 0.0 112.113 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 65.28 22.86 12.13 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.934 2.493 . . . . 0.0 113.826 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -89.08 157.11 18.44 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.355 1.062 . . . . 0.0 109.745 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.0 p -133.88 144.57 48.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.741 0.782 . . . . 0.0 112.271 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -146.2 178.0 8.56 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 127.044 2.138 . . . . 0.0 110.282 -172.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -134.08 153.08 52.03 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.088 -1.008 . . . . 0.0 111.853 169.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mm -136.94 114.86 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 126.51 1.924 . . . . 0.0 109.506 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -75.66 109.42 9.23 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 122.605 0.362 . . . . 0.0 110.509 169.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.0 tp -126.8 151.9 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 127.027 2.131 . . . . 0.0 111.49 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -84.14 121.17 75.48 Favored Pre-proline 0 CA--C 1.555 1.136 0 O-C-N 121.098 -1.001 . . . . 0.0 111.683 176.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.78 -18.81 31.96 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.29 2.66 . . . . 0.0 115.277 -176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -76.27 -20.88 56.95 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.243 0.929 . . . . 0.0 111.943 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -80.28 178.77 8.06 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.707 1.203 . . . . 0.0 111.825 169.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 42.1 p -101.18 176.22 5.33 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -169.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 53' ' ' LEU . 94.8 t -59.01 -34.18 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.698 0.799 . . . . 0.0 111.059 170.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.65 -31.82 71.95 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.14 -0.975 . . . . 0.0 112.754 171.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.82 64.58 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.506 1.048 . . . . 0.0 112.894 171.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 tp -54.74 -52.72 61.62 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.69 -1.256 . . . . 0.0 109.78 169.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -51.07 -45.54 61.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.768 1.227 . . . . 0.0 113.379 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -43.17 93.05 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.776 1.171 . . . . 0.0 112.505 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -65.51 -43.02 91.41 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.608 0.763 . . . . 0.0 112.885 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.93 -48.68 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.447 0.699 . . . . 0.0 110.401 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -46.36 88.87 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.512 1.125 . . . . 0.0 111.507 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 t -56.75 -46.71 81.23 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.885 1.674 . . . . 0.0 112.575 176.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.98 -56.56 4.8 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.19 1.396 . . . . 0.0 112.647 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -85.82 -17.51 35.51 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.828 1.251 . . . . 0.0 114.046 -170.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.96 149.35 23.98 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 127.16 2.314 . . . . 0.0 113.457 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -63.04 -25.68 68.49 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.939 1.295 . . . . 0.0 113.165 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -65.68 -28.84 69.37 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.57 1.148 . . . . 0.0 112.932 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.6 -48.16 4.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.901 1.28 . . . . 0.0 112.234 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.97 73.27 46.14 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.304 1.442 . . . . 0.0 111.832 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -71.77 147.49 50.55 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.666 2.244 . . . . 0.0 110.731 173.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.1 t -53.94 -47.27 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 C-N-CA 124.883 1.273 . . . . 0.0 112.765 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.9 76.74 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.21 -36.89 26.23 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.681 1.134 . . . . 0.0 113.145 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -55.14 151.8 8.8 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.238 1.015 . . . . 0.0 113.259 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -140.93 151.54 44.3 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.927 2.491 . . . . 0.0 107.415 168.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.19 121.12 22.07 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 125.716 1.606 . . . . 0.0 110.006 -169.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.64 123.21 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 124.821 1.248 . . . . 0.0 110.844 -169.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -132.38 147.73 52.39 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.97 1.308 . . . . 0.0 111.613 173.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.63 24.39 1.65 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.796 1.239 . . . . 0.0 114.284 -174.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.97 18.12 79.58 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.932 1.729 . . . . 0.0 115.695 -173.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -126.08 137.8 53.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.365 1.866 . . . . 0.0 111.229 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -71.12 126.54 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 123.458 0.703 . . . . 0.0 110.758 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HB3' HG21 ' A' ' 23' ' ' VAL . 31.2 mt -72.38 133.73 45.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.804 1.642 . . . . 0.0 111.045 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -73.88 124.42 26.1 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.805 0.842 . . . . 0.0 111.973 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -47.51 -46.32 27.31 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.833 1.653 . . . . 0.0 113.971 -176.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.46 -12.31 52.21 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.397 1.479 . . . . 0.0 114.476 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.1 m -83.2 141.62 31.78 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.858 -1.151 . . . . 0.0 110.726 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.94 150.79 40.61 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.92 -34.64 78.43 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.296 -0.877 . . . . 0.0 112.965 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -55.23 -25.1 31.12 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.451 1.5 . . . . 0.0 114.619 172.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.87 -20.66 61.77 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.512 1.125 . . . . 0.0 113.082 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -105.89 -6.28 19.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.006 1.723 . . . . 0.0 112.929 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.62 43.48 4.76 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.144 2.578 . . . . 0.0 114.137 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.5 mt -58.25 140.65 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.78 1.632 . . . . 0.0 109.156 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -115.69 141.81 47.58 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.396 1.078 . . . . 0.0 111.936 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.44 -25.52 67.27 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.123 0.969 . . . . 0.0 112.522 175.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -66.4 -21.61 66.22 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.307 2.243 . . . . 0.0 114.254 177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -118.56 176.74 5.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.941 1.697 . . . . 0.0 111.225 -174.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -115.98 150.99 36.29 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.98 0.912 . . . . 0.0 112.618 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.76 163.05 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 127.15 2.18 . . . . 0.0 108.709 169.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.3 t -107.34 123.56 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.606 -0.684 . . . . 0.0 110.271 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.19 139.5 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.341 1.456 . . . . 0.0 109.656 172.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.8 ptm -139.75 167.85 21.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.398 1.079 . . . . 0.0 111.096 169.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 p -134.58 103.56 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.424 1.09 . . . . 0.0 110.498 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.4 p -71.66 140.11 49.53 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.756 0.822 . . . . 0.0 110.567 174.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -64.94 125.98 90.21 Favored Pre-proline 0 N--CA 1.475 0.775 0 C-N-CA 124.316 1.046 . . . . 0.0 111.593 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -53.08 161.86 3.16 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.425 2.75 . . . . 0.0 114.619 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -83.78 5.7 23.96 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.88 93.82 0.2 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.626 1.571 . . . . 0.0 111.976 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.31 -174.36 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 126.366 1.866 . . . . 0.0 112.075 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 64.1 p -67.29 11.61 0.11 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 128.08 2.552 . . . . 0.0 116.419 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 p -58.03 158.76 12.31 Favored Pre-proline 0 N--CA 1.48 1.041 0 C-N-CA 125.881 1.672 . . . . 0.0 114.084 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -48.98 130.08 22.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.729 3.619 . . . . 0.0 115.87 -175.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.26 3.05 Favored Pre-proline 0 CA--C 1.558 1.268 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -55.27 166.3 2.48 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.757 2.971 . . . . 0.0 116.694 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.15 -21.51 23.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.25 1.82 . . . . 0.0 115.48 -172.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.7 m -52.79 -32.56 44.53 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.331 1.852 . . . . 0.0 113.511 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.4 mt -111.84 -13.8 13.63 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.068 1.347 . . . . 0.0 114.079 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.0 -25.71 66.44 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.823 -1.173 . . . . 0.0 112.935 172.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -80.15 -5.5 56.13 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.161 1.384 . . . . 0.0 114.174 174.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -70.37 172.49 8.23 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.147 0.979 . . . . 0.0 112.804 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -52.61 132.61 35.9 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.931 1.692 . . . . 0.0 112.811 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -74.81 -10.9 59.95 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 55.7 t60 42.43 66.94 0.66 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 127.33 2.252 . . . . 0.0 114.055 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 75.4 t60 . . . . . 0 C--O 1.254 1.293 0 C-N-CA 126.06 1.744 . . . . 0.0 112.018 -178.496 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 70.5 p -67.55 170.24 7.93 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.124 1.37 . . . . 0.0 113.395 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -129.34 169.25 15.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.965 1.706 . . . . 0.0 111.336 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -66.48 164.41 16.47 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.808 1.243 . . . . 0.0 113.059 173.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 35.3 p -72.04 163.64 27.53 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.789 1.236 . . . . 0.0 112.546 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 10.0 tp -134.36 -8.51 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.436 1.495 . . . . 0.0 113.677 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 20.3 m -57.29 103.56 0.13 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.806 2.443 . . . . 0.0 113.593 -173.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -132.49 -17.3 2.6 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -173.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 55.04 -15.01 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 129.912 3.285 . . . . 0.0 118.483 175.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.53 -18.58 62.3 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.277 -1.514 . . . . 0.0 114.801 -176.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -66.09 -13.43 60.05 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.359 1.464 . . . . 0.0 113.972 169.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -61.61 -11.27 28.23 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.929 1.728 . . . . 0.0 115.885 -177.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -6.22 15.86 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.572 1.549 . . . . 0.0 114.854 169.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 6.2 t -66.69 172.13 4.54 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.257 1.423 . . . . 0.0 112.937 174.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 178.52 168.52 37.95 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.526 1.536 . . . . 0.0 113.156 175.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.47 120.61 79.72 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.016 1.326 . . . . 0.0 110.386 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -59.72 168.45 5.5 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.265 2.643 . . . . 0.0 113.876 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -81.67 53.86 2.24 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 122.485 1.136 . . . . 0.0 108.862 168.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.6 mp 61.15 4.19 0.83 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 129.621 3.168 . . . . 0.0 115.666 -169.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 5.8 m -49.39 -60.55 2.74 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.458 1.903 . . . . 0.0 114.659 -170.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 69.8 p -100.67 -9.19 22.11 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 55.2 mtm -64.82 127.72 32.77 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -172.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 43.5 p -66.03 174.07 2.71 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.24 1.016 . . . . 0.0 112.071 169.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.25 -44.21 75.31 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.886 -1.134 . . . . 0.0 112.431 173.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.7 -40.54 88.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.502 0.721 . . . . 0.0 112.344 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -67.78 -40.07 84.0 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.469 -0.769 . . . . 0.0 112.276 175.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -59.69 -45.36 92.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.557 1.143 . . . . 0.0 111.713 171.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 46.5 mt -57.42 -51.89 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.894 0.877 . . . . 0.0 111.004 171.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.08 -34.41 76.24 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.913 -1.117 . . . . 0.0 113.491 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -62.94 -43.15 99.59 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.112 -0.993 . . . . 0.0 111.937 170.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -57.81 -46.22 84.99 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.822 0.849 . . . . 0.0 112.306 171.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 47.8 mtt -57.66 -44.4 85.68 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.598 1.159 . . . . 0.0 112.115 174.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -62.14 -47.12 85.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.042 0.837 . . . . 0.0 112.724 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 62.2 mtm -61.53 -40.22 93.87 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.832 0.742 . . . . 0.0 112.014 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 21.7 t -59.34 -46.96 87.18 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.826 1.25 . . . . 0.0 112.826 171.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 51.4 mt -59.28 -35.46 73.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.85 1.26 . . . . 0.0 112.677 171.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -70.2 -30.51 67.63 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.367 -0.833 . . . . 0.0 112.894 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -72.48 -14.37 77.38 Favored Glycine 0 CA--C 1.54 1.608 0 O-C-N 121.643 -0.661 . . . . 0.0 113.597 169.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -100.49 -71.07 0.72 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.69 1.996 . . . . 0.0 113.455 -177.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -136.6 3.27 2.75 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.75 1.62 . . . . 0.0 114.834 -169.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 65.19 0.83 1.38 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -86.12 179.92 49.71 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.893 1.235 . . . . 0.0 113.681 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -92.85 178.67 5.7 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.816 1.246 . . . . 0.0 110.908 169.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -56.88 -38.14 72.35 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.869 -1.145 . . . . 0.0 112.998 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -71.71 -15.7 62.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.566 1.147 . . . . 0.0 114.081 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 15.9 m -78.5 -13.88 59.62 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.628 1.171 . . . . 0.0 113.711 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -64.04 149.65 47.04 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.41 1.084 . . . . 0.0 112.982 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.755 1.622 . . . . 0.0 113.915 178.793 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ptm . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -94.96 74.14 3.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.353 1.061 . . . . 0.0 111.148 -170.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.31 134.25 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.537 1.535 . . . . 0.0 109.691 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 m -79.86 131.22 35.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 169.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.34 148.37 26.46 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 126.408 1.883 . . . . 0.0 110.207 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -138.18 124.71 20.76 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.507 1.523 . . . . 0.0 111.167 173.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 p -81.94 168.32 18.01 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.316 1.046 . . . . 0.0 111.859 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' B' ' 290' ' ' ALA . 57.3 mt -68.44 -21.82 64.63 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.022 -1.049 . . . . 0.0 113.541 170.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -77.35 5.06 9.37 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.743 1.217 . . . . 0.0 111.783 169.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 63.75 26.23 14.39 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.265 2.626 . . . . 0.0 113.861 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -89.12 144.1 26.37 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.442 1.097 . . . . 0.0 109.933 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.7 p -132.63 136.41 46.48 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 122.139 0.971 . . . . 0.0 113.432 -171.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -150.63 177.87 9.63 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 128.082 2.553 . . . . 0.0 109.884 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -108.59 155.33 20.79 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.102 -0.999 . . . . 0.0 113.396 169.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.5 mm -128.48 112.03 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 127.263 2.225 . . . . 0.0 108.588 171.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -76.53 105.58 7.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.937 0.495 . . . . 0.0 110.323 169.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tp -124.11 153.37 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 126.231 1.812 . . . . 0.0 111.623 -174.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -85.23 124.8 71.51 Favored Pre-proline 0 CA--C 1.555 1.16 0 O-C-N 121.078 -1.014 . . . . 0.0 111.872 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.26 -22.01 26.09 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.38 2.72 . . . . 0.0 115.51 -175.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -79.99 -21.01 44.16 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.242 0.928 . . . . 0.0 111.855 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -74.91 170.59 15.65 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.21 1.005 . . . . 0.0 110.783 169.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 32.9 p -92.84 175.61 6.74 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 122.285 1.041 . . . . 0.0 113.58 -173.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.426 HG21 ' HB3' ' A' ' 53' ' ' LEU . 81.2 t -58.99 -30.78 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.793 0.837 . . . . 0.0 111.565 173.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -60.1 -32.27 70.82 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.072 -1.017 . . . . 0.0 112.811 170.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.59 -36.06 62.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.181 0.9 . . . . 0.0 112.826 172.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.24 -54.14 47.22 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.675 -1.266 . . . . 0.0 109.526 169.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -50.18 -45.87 53.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.856 1.262 . . . . 0.0 113.547 169.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -44.07 93.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.738 1.154 . . . . 0.0 112.757 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -69.9 -36.14 75.18 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.436 0.694 . . . . 0.0 112.404 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.52 -50.95 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.908 0.883 . . . . 0.0 110.569 169.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.85 -41.02 85.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.546 0.738 . . . . 0.0 111.419 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.5 m -62.91 -44.41 96.16 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.605 1.162 . . . . 0.0 112.834 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.34 -54.02 12.21 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.8 1.24 . . . . 0.0 112.42 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -89.98 -16.16 30.44 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.43 1.492 . . . . 0.0 114.085 -170.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.89 154.49 21.8 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.046 2.26 . . . . 0.0 113.221 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -60.84 -26.58 67.45 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.061 0.944 . . . . 0.0 113.083 173.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -60.88 -36.69 79.88 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.736 1.214 . . . . 0.0 112.447 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.24 -52.3 4.88 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.642 1.177 . . . . 0.0 112.086 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -141.13 78.62 18.89 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.908 1.283 . . . . 0.0 112.532 -169.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.39 139.73 29.27 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.044 2.496 . . . . 0.0 110.191 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.7 t -50.64 -47.44 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.705 -1.247 . . . . 0.0 112.469 -176.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -25.22 67.74 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.69 -28.3 9.01 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.052 1.311 . . . . 0.0 113.937 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -58.31 156.18 10.44 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.863 1.265 . . . . 0.0 113.287 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -141.02 148.62 40.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.913 2.485 . . . . 0.0 107.294 167.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.23 120.81 25.05 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 126.231 1.813 . . . . 0.0 109.416 -169.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.69 127.95 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.719 1.208 . . . . 0.0 110.797 -169.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -133.67 143.1 48.34 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.215 1.406 . . . . 0.0 111.07 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.58 29.68 3.15 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.0 13.97 82.81 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 126.791 2.139 . . . . 0.0 115.833 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -128.57 136.28 50.51 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.161 1.784 . . . . 0.0 111.715 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -70.47 129.45 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.488 0.715 . . . . 0.0 110.808 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.426 ' HB3' HG21 ' A' ' 23' ' ' VAL . 31.2 mt -73.59 128.03 34.37 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.111 1.765 . . . . 0.0 111.016 176.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -69.88 122.87 20.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.119 0.968 . . . . 0.0 111.713 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -47.75 -41.3 22.78 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.066 1.746 . . . . 0.0 114.574 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.25 -14.63 35.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.363 1.465 . . . . 0.0 113.891 -175.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.9 m -84.47 145.56 28.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.328 1.051 . . . . 0.0 110.79 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.71 154.91 36.14 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.24 -33.06 74.9 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.356 -0.84 . . . . 0.0 113.043 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -51.77 -34.58 40.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.562 1.545 . . . . 0.0 113.059 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.02 -16.58 64.1 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.439 1.496 . . . . 0.0 113.879 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -109.22 -4.01 16.82 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.986 1.715 . . . . 0.0 112.948 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 48.58 36.16 7.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.54 2.336 . . . . 0.0 114.087 177.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.23 136.22 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.487 1.515 . . . . 0.0 110.152 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -100.6 156.46 17.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.242 1.017 . . . . 0.0 112.141 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -81.42 -24.9 36.59 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.872 0.869 . . . . 0.0 113.25 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -84.02 -37.67 21.88 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.699 1.6 . . . . 0.0 112.08 178.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -74.95 172.18 12.74 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.384 1.074 . . . . 0.0 111.526 172.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -117.54 150.3 39.19 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.459 1.104 . . . . 0.0 113.367 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.12 155.35 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 127.251 2.22 . . . . 0.0 108.234 169.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.9 t -105.96 131.33 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.71 -0.619 . . . . 0.0 110.048 174.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -116.95 138.35 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.38 1.472 . . . . 0.0 110.343 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -140.34 171.15 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.497 1.519 . . . . 0.0 111.09 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p -129.77 121.93 53.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.329 1.452 . . . . 0.0 108.867 172.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 p -73.42 147.79 43.9 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 121.357 -0.84 . . . . 0.0 112.607 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -63.95 130.72 94.65 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.707 1.203 . . . . 0.0 112.417 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -57.25 167.03 3.76 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.465 2.777 . . . . 0.0 114.116 169.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -114.29 -0.01 14.01 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.792 1.637 . . . . 0.0 114.249 173.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.31 170.05 18.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.217 1.807 . . . . 0.0 111.855 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.7 m -64.84 -15.56 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 125.192 1.397 . . . . 0.0 114.558 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.6 m 59.15 17.23 5.43 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.73 2.012 . . . . 0.0 115.686 173.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.9 p -67.35 162.81 52.46 Favored Pre-proline 0 N--CA 1.477 0.906 0 C-N-CA 125.707 1.603 . . . . 0.0 112.783 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -54.02 145.44 52.6 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.749 2.966 . . . . 0.0 114.683 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.4 -33.42 4.67 Favored Pre-proline 0 CA--C 1.556 1.206 0 N-CA-C 117.09 2.256 . . . . 0.0 117.09 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -55.14 155.22 19.91 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 123.324 2.683 . . . . 0.0 115.756 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.1 -176.62 5.29 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.538 1.935 . . . . 0.0 111.823 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.1 t -63.16 -14.41 48.47 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.406 1.482 . . . . 0.0 114.532 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.0 tp 50.16 42.44 25.24 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.522 1.929 . . . . 0.0 113.022 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.86 5.78 1.92 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.796 2.438 . . . . 0.0 115.975 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -76.56 48.55 0.55 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.332 1.453 . . . . 0.0 112.943 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -61.67 -31.05 71.15 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.613 1.565 . . . . 0.0 114.055 -175.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 63.9 t60 61.5 -54.55 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 129.594 3.157 . . . . 0.0 116.351 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.44 130.02 42.66 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.642 1.577 . . . . 0.0 112.738 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 56.13 -171.86 0.07 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.114 2.166 . . . . 0.0 114.694 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.205 0 C-N-CA 127.964 2.506 . . . . 0.0 111.729 172.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.528 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 49.0 m -73.59 174.23 8.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.258 1.423 . . . . 0.0 112.216 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -56.94 -32.28 65.84 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 120.917 -1.115 . . . . 0.0 113.098 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 47.5 tpp -69.63 -18.33 63.58 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.564 1.545 . . . . 0.0 113.969 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 9.7 m -77.51 71.33 3.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.336 1.454 . . . . 0.0 111.271 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 44.6 pt -68.27 163.94 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.589 1.555 . . . . 0.0 112.852 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 9.0 t -73.0 163.42 28.2 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.121 0.969 . . . . 0.0 112.757 175.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -133.91 13.83 3.97 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.672 2.389 . . . . 0.0 112.93 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -59.69 168.3 1.74 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.321 1.848 . . . . 0.0 115.083 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -131.78 162.74 29.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.583 1.953 . . . . 0.0 111.116 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -61.25 -23.61 65.77 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 115.486 1.662 . . . . 0.0 115.486 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 70.99 -65.26 0.9 Allowed Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.866 1.698 . . . . 0.0 114.849 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 59.9 -63.6 0.05 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 130.096 3.358 . . . . 0.0 114.55 -173.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 22.5 m 64.56 -60.75 0.21 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 128.877 2.871 . . . . 0.0 114.199 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -79.23 75.6 2.05 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.724 1.63 . . . . 0.0 112.778 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 17.0 tp -55.5 123.8 52.26 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 125.596 1.558 . . . . 0.0 111.308 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.2 164.46 34.19 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.159 2.573 . . . . 0.0 113.808 -172.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -80.6 50.01 1.26 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.449 1.5 . . . . 0.0 109.74 168.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.5 mt 66.06 -8.29 0.34 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.366 3.466 . . . . 0.0 116.023 -173.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 21.5 p -54.79 -58.77 6.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.384 1.874 . . . . 0.0 113.781 -176.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 49.6 m -91.24 0.07 57.59 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.358 1.463 . . . . 0.0 113.63 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 13.8 tpp -70.72 131.65 44.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.638 1.575 . . . . 0.0 112.088 -175.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 60.5 p -68.31 163.12 23.71 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.82 0.448 . . . . 0.0 110.138 169.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.3 -42.45 86.65 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.997 -1.065 . . . . 0.0 111.686 174.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.3 -43.0 82.79 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.805 0.842 . . . . 0.0 112.858 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.09 -32.57 70.7 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 119.753 1.16 . . . . 0.0 112.681 174.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -63.34 -43.9 96.41 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.115 0.87 . . . . 0.0 111.106 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 53.2 mt -59.98 -49.51 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.905 1.282 . . . . 0.0 111.051 169.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.87 75.74 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.824 -1.172 . . . . 0.0 113.433 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.54 -43.71 98.36 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.292 1.037 . . . . 0.0 111.645 169.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . 0.448 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -59.15 -47.47 85.19 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.244 1.018 . . . . 0.0 112.898 171.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 46.2 mtt -54.37 -55.1 31.96 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 125.461 1.504 . . . . 0.0 111.281 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -49.64 -47.77 49.7 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.396 1.079 . . . . 0.0 112.679 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 78.6 mtm -59.53 -54.24 48.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.872 0.76 . . . . 0.0 112.319 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 77.4 p -66.62 -29.75 69.86 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.85 -47.36 81.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.097 1.759 . . . . 0.0 111.163 173.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -66.43 -24.81 66.51 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.465 -0.772 . . . . 0.0 112.928 172.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -72.11 -8.76 70.41 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.945 1.259 . . . . 0.0 114.905 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -100.21 -147.49 0.35 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.214 1.806 . . . . 0.0 110.294 172.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.73 -8.67 59.21 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.048 1.739 . . . . 0.0 113.6 -172.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -79.14 2.74 19.81 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.977 1.711 . . . . 0.0 114.397 -175.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -63.48 -11.88 43.39 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.011 1.291 . . . . 0.0 114.922 171.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.75 98.64 0.28 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.487 1.915 . . . . 0.0 110.851 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -63.18 157.87 21.39 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.553 1.141 . . . . 0.0 113.85 -175.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.95 -16.32 63.2 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.847 1.259 . . . . 0.0 113.92 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 23.1 m -68.46 -11.51 59.86 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.967 1.707 . . . . 0.0 114.465 175.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -64.98 163.79 13.93 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.685 1.194 . . . . 0.0 113.554 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.251 1.17 0 C-N-CA 126.721 2.008 . . . . 0.0 112.687 178.734 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -85.28 85.85 7.42 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.465 1.106 . . . . 0.0 111.078 -174.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.25 116.51 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.32 1.048 . . . . 0.0 109.14 171.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.0 m -79.08 140.47 37.86 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.817 -0.552 . . . . 0.0 109.63 170.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.6 mt -116.88 151.14 37.21 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 111.374 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -132.75 138.14 47.08 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.549 1.94 . . . . 0.0 110.198 169.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 p -99.82 167.2 10.68 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.508 1.123 . . . . 0.0 112.127 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.09 -24.08 67.34 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.765 0.826 . . . . 0.0 113.055 170.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -81.33 6.47 14.22 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.69 1.596 . . . . 0.0 112.796 171.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 64.81 23.72 12.72 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.015 2.126 . . . . 0.0 113.722 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -88.92 156.72 18.73 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.482 1.113 . . . . 0.0 109.446 173.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.5 p -135.24 143.84 46.55 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.713 0.768 . . . . 0.0 112.437 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -146.16 178.13 8.46 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.137 2.175 . . . . 0.0 110.193 -175.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -133.54 151.82 51.8 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.019 -1.051 . . . . 0.0 112.008 169.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -134.15 110.56 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 126.713 2.005 . . . . 0.0 108.794 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -73.6 107.35 5.82 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -124.45 152.66 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 127.168 2.187 . . . . 0.0 110.559 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -74.81 114.75 37.65 Favored Pre-proline 0 CA--C 1.55 0.971 0 O-C-N 121.039 -1.038 . . . . 0.0 111.212 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.52 -21.92 29.3 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.855 2.37 . . . . 0.0 113.54 -173.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -67.95 -22.44 65.04 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.328 1.051 . . . . 0.0 112.875 169.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -81.75 -177.92 6.76 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 122.542 1.163 . . . . 0.0 111.75 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 46.5 p -97.16 173.71 7.1 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -169.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.432 HG21 ' HB3' ' A' ' 53' ' ' LEU . 74.0 t -59.36 -39.42 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 124.413 1.085 . . . . 0.0 110.675 169.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -59.14 -38.2 79.1 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.96 1.304 . . . . 0.0 112.62 170.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.46 94.43 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.309 0.959 . . . . 0.0 113.005 170.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.49 -53.13 58.45 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.699 -1.25 . . . . 0.0 110.888 169.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -53.64 -40.57 65.95 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -49.59 68.73 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.497 1.519 . . . . 0.0 111.936 170.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -69.73 -36.87 76.22 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.743 1.217 . . . . 0.0 112.378 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.35 -51.35 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.779 1.231 . . . . 0.0 110.506 169.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.34 -44.61 84.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.205 1.002 . . . . 0.0 111.626 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.3 t -57.46 -50.17 73.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.078 1.351 . . . . 0.0 112.615 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -69.9 -54.31 14.01 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.266 1.026 . . . . 0.0 113.085 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -84.73 -18.86 33.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.966 1.307 . . . . 0.0 114.176 -170.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.38 148.12 21.16 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 127.083 2.278 . . . . 0.0 113.412 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.49 -31.19 71.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.094 1.358 . . . . 0.0 113.516 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -65.58 -35.62 81.35 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.064 0.945 . . . . 0.0 112.614 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.18 -49.94 6.95 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.532 1.133 . . . . 0.0 112.168 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -138.56 77.49 34.02 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.084 1.353 . . . . 0.0 111.643 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.25 148.46 55.58 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.697 2.265 . . . . 0.0 110.418 173.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.68 -45.0 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 124.203 1.001 . . . . 0.0 112.707 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 -41.08 81.28 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.17 -39.33 58.26 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.272 0.939 . . . . 0.0 112.779 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -53.35 141.28 24.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.35 1.06 . . . . 0.0 112.897 172.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -130.0 151.79 50.17 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.643 1.977 . . . . 0.0 108.689 169.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.58 114.65 15.72 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.013 1.725 . . . . 0.0 109.842 -169.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.48 124.62 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.696 1.198 . . . . 0.0 110.353 -170.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.452 ' HB3' HD21 ' A' ' 53' ' ' LEU . 13.1 t80 -131.87 147.4 52.47 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.767 1.227 . . . . 0.0 111.789 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.87 28.39 3.69 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.84 12.92 82.16 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 126.607 2.051 . . . . 0.0 115.845 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -133.67 140.58 47.15 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.126 1.771 . . . . 0.0 112.227 -178.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -70.41 128.3 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.6 -0.688 . . . . 0.0 110.344 173.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 48' ' ' TYR . 39.0 mt -72.05 137.62 47.28 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.433 1.493 . . . . 0.0 110.998 176.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -72.83 123.4 23.31 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.536 -0.727 . . . . 0.0 111.067 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -53.43 -41.23 65.85 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -173.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -85.41 -9.93 56.89 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.136 0.974 . . . . 0.0 113.61 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.5 m -85.14 147.64 26.52 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.207 1.403 . . . . 0.0 110.919 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -73.87 156.9 37.22 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.93 -36.9 84.64 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -64.8 -19.53 65.88 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.285 1.434 . . . . 0.0 114.048 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.76 -18.83 65.61 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.461 1.104 . . . . 0.0 113.45 173.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -113.28 1.54 15.22 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.804 1.642 . . . . 0.0 112.479 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 47.31 36.73 5.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 128.027 2.531 . . . . 0.0 114.06 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.7 mt -56.97 136.27 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.784 1.233 . . . . 0.0 109.312 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -115.9 157.76 24.01 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.114 1.366 . . . . 0.0 111.34 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.64 -23.79 58.73 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -85.99 -34.85 20.7 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.695 1.198 . . . . 0.0 113.164 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -77.96 174.17 11.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.368 1.067 . . . . 0.0 111.23 172.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -125.3 152.36 44.78 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.62 162.46 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 127.048 2.139 . . . . 0.0 109.177 169.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.2 t -105.12 128.29 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.516 -0.74 . . . . 0.0 110.834 170.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.73 134.91 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 125.765 1.626 . . . . 0.0 109.836 170.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -137.46 168.92 18.68 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.791 1.237 . . . . 0.0 110.686 169.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.06 113.43 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.365 1.066 . . . . 0.0 110.427 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.0 p -73.0 160.81 31.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.934 0.894 . . . . 0.0 111.996 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.21 123.78 83.44 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 124.127 0.971 . . . . 0.0 110.92 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.78 164.51 2.3 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.761 2.974 . . . . 0.0 115.19 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -84.47 4.84 29.9 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.579 1.552 . . . . 0.0 113.454 172.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.5 167.61 17.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.38 1.872 . . . . 0.0 113.019 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.76 1.72 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 126.751 2.02 . . . . 0.0 114.988 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.1 m -64.86 -7.75 12.53 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.869 2.068 . . . . 0.0 116.029 -173.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.5 p -66.62 163.33 42.72 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 125.579 1.552 . . . . 0.0 113.24 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.83 159.25 14.72 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.422 2.748 . . . . 0.0 113.716 171.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.52 155.67 88.08 Favored Pre-proline 0 CA--C 1.555 1.136 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.2 170.12 2.47 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.093 3.195 . . . . 0.0 114.692 170.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.05 27.69 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 127.144 2.178 . . . . 0.0 114.972 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 34.3 p 60.98 -49.46 0.11 Allowed 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 131.06 3.744 . . . . 0.0 116.579 -172.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.9 tp 58.44 -32.52 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 130.617 3.567 . . . . 0.0 116.644 -176.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -61.14 -14.73 26.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.803 1.641 . . . . 0.0 114.43 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -60.86 -20.1 61.22 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.862 1.265 . . . . 0.0 113.307 169.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -71.28 76.48 0.73 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.624 1.569 . . . . 0.0 109.983 169.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -72.76 -10.12 59.43 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.366 1.866 . . . . 0.0 114.674 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -68.27 162.17 25.67 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.448 1.099 . . . . 0.0 112.236 171.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -56.1 115.74 2.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.783 1.233 . . . . 0.0 110.354 169.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.36 0 C-N-CA 125.24 1.416 . . . . 0.0 112.747 -172.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 54.8 p -62.86 -15.99 56.91 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -176.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -71.26 -15.42 62.44 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.884 1.274 . . . . 0.0 113.901 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 43.5 ttp -68.21 168.11 12.92 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.191 1.396 . . . . 0.0 111.986 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 13.4 p -72.29 58.72 0.39 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.818 2.047 . . . . 0.0 111.996 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.49 162.35 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.481 1.513 . . . . 0.0 113.63 -178.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 21.1 m -63.78 105.4 0.81 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.256 1.822 . . . . 0.0 112.992 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -71.5 2.24 5.33 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.204 1.802 . . . . 0.0 115.796 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -66.6 18.3 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 128.46 2.704 . . . . 0.0 117.216 -170.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -52.48 130.44 31.66 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.877 1.671 . . . . 0.0 113.227 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -73.34 174.71 7.72 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.42 1.488 . . . . 0.0 113.916 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -145.17 -178.43 20.74 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 126.178 1.847 . . . . 0.0 113.294 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 157.81 11.4 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.462 1.505 . . . . 0.0 113.9 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 26.1 p -65.88 -46.77 77.19 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.088 1.355 . . . . 0.0 113.22 175.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 86.7 90.0 0.98 Allowed Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.361 1.458 . . . . 0.0 113.139 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 17.3 tp -56.45 128.44 74.01 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 125.3 1.44 . . . . 0.0 111.355 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.53 168.95 22.8 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.085 2.524 . . . . 0.0 114.086 -172.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -78.63 42.76 0.45 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.429 1.892 . . . . 0.0 110.586 168.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 5.2 mt 75.31 -6.74 1.91 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 130.146 3.379 . . . . 0.0 115.087 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 16.5 m -54.68 -53.86 49.34 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.566 1.546 . . . . 0.0 114.437 -169.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 59.1 p -100.34 -3.67 30.74 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.01 1.724 . . . . 0.0 113.858 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 24.3 ttm -71.18 129.3 38.57 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.849 1.26 . . . . 0.0 112.4 -172.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 6.8 m -59.56 145.75 43.18 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.091 0.956 . . . . 0.0 110.496 172.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.43 -37.78 78.96 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.906 -1.121 . . . . 0.0 112.783 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.39 -29.81 70.56 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.743 0.817 . . . . 0.0 113.103 173.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -78.03 -36.81 48.18 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.203 -0.936 . . . . 0.0 111.892 174.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -59.08 -45.42 90.87 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.553 0.741 . . . . 0.0 110.285 170.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 48.5 mt -57.84 -51.54 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.261 1.424 . . . . 0.0 111.437 170.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.59 73.09 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.052 1.296 . . . . 0.0 113.549 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -61.78 -46.64 88.68 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.465 -0.772 . . . . 0.0 111.667 170.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.81 86.94 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 171.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 43.7 mtt -55.45 -57.17 13.01 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.608 1.163 . . . . 0.0 110.65 174.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -53.19 -47.62 68.71 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.233 0.924 . . . . 0.0 112.754 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 67.2 mtm -60.41 -49.15 78.7 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.413 -0.804 . . . . 0.0 112.375 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 43.1 p -67.85 -34.4 76.64 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 42.9 tp -58.59 -43.76 89.61 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.871 2.068 . . . . 0.0 110.809 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -67.93 -53.45 26.25 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.562 0.745 . . . . 0.0 112.035 171.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -55.52 -25.6 42.75 Favored Glycine 0 CA--C 1.54 1.607 0 CA-C-N 119.177 0.899 . . . . 0.0 115.015 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -78.06 -63.36 1.41 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.731 2.013 . . . . 0.0 113.694 173.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -135.47 0.2 2.74 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -168.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 45.75 52.95 9.19 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.646 1.578 . . . . 0.0 113.325 -173.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -72.47 -6.28 65.52 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.06 1.314 . . . . 0.0 116.172 -174.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 50.86 -92.32 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.664 2.385 . . . . 0.0 113.088 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -136.24 7.49 3.12 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.806 2.042 . . . . 0.0 113.038 175.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -84.68 -15.45 45.25 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.197 1.399 . . . . 0.0 114.032 -174.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 20.9 m 60.23 178.7 0.09 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.358 2.263 . . . . 0.0 114.791 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.78 169.52 11.22 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.133 1.373 . . . . 0.0 113.226 175.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.889 2.076 . . . . 0.0 112.544 176.229 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -111.97 75.55 0.92 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.559 1.144 . . . . 0.0 109.819 -174.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.34 151.17 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.92 1.288 . . . . 0.0 112.36 -178.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.6 m -91.88 138.45 31.54 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 168.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.63 152.87 32.31 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.686 1.994 . . . . 0.0 110.395 -179.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -137.42 141.71 41.65 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.864 1.666 . . . . 0.0 111.458 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 p -106.07 164.33 12.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.548 1.539 . . . . 0.0 111.963 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.97 -24.59 65.17 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.249 -0.907 . . . . 0.0 112.972 173.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -74.14 5.19 4.61 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.801 2.041 . . . . 0.0 112.688 171.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 68.17 20.46 8.89 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.065 2.146 . . . . 0.0 113.281 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -89.37 152.76 21.34 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.113 0.965 . . . . 0.0 110.201 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -136.17 138.02 41.52 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.001 0.92 . . . . 0.0 111.563 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -143.28 -179.05 6.17 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.742 2.017 . . . . 0.0 110.348 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -126.87 152.74 46.64 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.041 -1.037 . . . . 0.0 112.13 170.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -133.44 113.48 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.575 1.95 . . . . 0.0 110.188 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -80.95 100.51 8.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.893 1.677 . . . . 0.0 110.994 169.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tp -128.68 157.37 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 126.773 2.029 . . . . 0.0 111.668 -173.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.89 123.77 77.57 Favored Pre-proline 0 CA--C 1.556 1.183 0 O-C-N 120.917 -1.114 . . . . 0.0 111.833 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.46 -20.73 26.99 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.909 3.073 . . . . 0.0 114.777 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.32 -19.18 34.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.03 0.932 . . . . 0.0 112.205 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -73.6 170.3 15.48 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.189 0.995 . . . . 0.0 111.411 169.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 55.0 p -86.62 170.92 11.41 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -177.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 t -59.78 -26.62 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.234 -0.916 . . . . 0.0 111.954 173.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -61.62 -32.02 72.14 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.439 -1.413 . . . . 0.0 112.685 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.8 67.83 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.166 0.894 . . . . 0.0 112.55 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.5 -52.98 62.71 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.617 -1.302 . . . . 0.0 109.445 169.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.6 -45.89 57.64 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -45.34 89.35 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.581 1.082 . . . . 0.0 112.801 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -67.52 -38.26 83.99 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 123.732 0.813 . . . . 0.0 112.952 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.4 mt -60.59 -48.77 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.138 0.881 . . . . 0.0 110.639 171.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -47.12 82.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.323 1.049 . . . . 0.0 111.574 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.9 t -59.54 -50.28 74.51 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.283 1.433 . . . . 0.0 112.548 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -72.18 -47.92 47.15 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.677 1.191 . . . . 0.0 113.228 -174.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -94.9 -13.66 25.23 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.08 1.352 . . . . 0.0 114.099 -171.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.55 138.29 6.27 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 126.546 2.022 . . . . 0.0 112.711 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -65.52 -19.16 65.81 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -61.61 -39.92 92.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.278 1.031 . . . . 0.0 111.992 171.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.03 -49.12 10.6 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.433 1.093 . . . . 0.0 111.688 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -139.18 80.23 23.95 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.13 1.372 . . . . 0.0 112.341 -170.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.74 141.94 28.09 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.042 2.495 . . . . 0.0 110.451 176.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.66 -43.55 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.573 -1.329 . . . . 0.0 112.806 -176.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.73 61.28 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.6 -25.7 8.51 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 125.282 1.42 . . . . 0.0 114.017 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -59.09 146.32 39.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.85 1.26 . . . . 0.0 112.849 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -129.81 149.44 51.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.574 1.95 . . . . 0.0 108.393 168.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.62 120.07 27.32 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.746 1.618 . . . . 0.0 109.167 -173.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.32 121.9 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 124.888 1.275 . . . . 0.0 110.55 -169.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -133.08 149.07 52.17 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.661 1.184 . . . . 0.0 111.257 173.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.7 28.3 2.59 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.05 22.16 79.28 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 126.98 2.229 . . . . 0.0 116.132 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -135.2 147.8 49.47 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.39 1.595 . . . . 0.0 112.236 170.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -72.63 123.24 26.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 123.591 0.756 . . . . 0.0 109.679 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -67.31 137.41 56.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.298 1.439 . . . . 0.0 110.784 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -68.46 116.25 8.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 170.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -63.93 -23.87 67.51 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -80.86 -7.81 59.55 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.795 1.238 . . . . 0.0 113.608 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.2 m -98.4 151.38 20.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.474 1.51 . . . . 0.0 111.287 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -75.44 154.91 36.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -172.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.69 -33.85 76.55 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.844 0.858 . . . . 0.0 111.926 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -52.52 -38.27 59.31 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.653 1.981 . . . . 0.0 113.596 173.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.53 -34.21 77.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.278 1.031 . . . . 0.0 112.934 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -97.0 -4.06 40.45 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.186 1.394 . . . . 0.0 112.098 -174.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm 53.05 31.36 11.01 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.272 2.629 . . . . 0.0 113.647 169.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 mt -60.58 133.68 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 126.258 1.823 . . . . 0.0 110.096 -174.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -101.78 153.44 19.81 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.33 1.052 . . . . 0.0 112.263 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.94 -33.57 65.99 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.859 1.264 . . . . 0.0 113.17 -178.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -77.84 -36.23 50.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.381 1.472 . . . . 0.0 112.013 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -77.0 170.96 15.58 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.785 1.634 . . . . 0.0 111.675 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -120.62 142.46 49.39 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -96.12 163.64 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.774 1.63 . . . . 0.0 110.013 169.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.6 t -112.2 130.46 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.551 -0.718 . . . . 0.0 110.534 172.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.6 p -115.53 137.14 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.663 1.585 . . . . 0.0 110.409 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.0 ptm -136.82 177.67 7.67 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.492 1.517 . . . . 0.0 111.136 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.2 p -128.98 147.67 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.216 1.406 . . . . 0.0 109.79 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.4 p -129.52 158.05 40.33 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.713 2.005 . . . . 0.0 111.034 -176.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.21 121.34 83.76 Favored Pre-proline 0 N--CA 1.473 0.709 0 C-N-CA 124.68 1.192 . . . . 0.0 110.187 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -51.63 156.98 5.71 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.424 2.749 . . . . 0.0 115.247 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -103.88 1.49 31.46 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.188 1.395 . . . . 0.0 113.008 -176.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.49 23.6 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.728 2.411 . . . . 0.0 115.611 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.96 -33.87 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 126.011 1.724 . . . . 0.0 111.188 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.4 m -136.39 171.1 14.98 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.147 2.179 . . . . 0.0 110.607 171.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.1 p -61.65 119.3 46.14 Favored Pre-proline 0 N--CA 1.478 0.948 0 C-N-CA 124.81 1.244 . . . . 0.0 111.788 174.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.92 133.1 50.19 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.476 2.784 . . . . 0.0 113.342 176.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -141.94 87.29 9.96 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 125.024 1.33 . . . . 0.0 111.411 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -53.31 164.32 1.98 Allowed 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 124.111 3.207 . . . . 0.0 114.422 172.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.57 -15.17 25.05 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.0 m -66.68 -27.98 68.09 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.108 1.763 . . . . 0.0 113.146 173.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.43 175.59 10.16 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.884 1.674 . . . . 0.0 111.438 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.62 -10.6 19.49 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 171.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -64.09 92.17 0.08 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.282 1.833 . . . . 0.0 112.361 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -74.2 80.52 1.8 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.179 1.392 . . . . 0.0 110.177 170.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -59.85 -26.09 65.55 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.241 1.416 . . . . 0.0 114.311 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -72.64 93.67 1.65 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.253 1.421 . . . . 0.0 111.086 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -139.43 174.65 10.29 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.913 1.685 . . . . 0.0 111.894 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 126.206 1.802 . . . . 0.0 113.283 176.764 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 37.8 m -65.23 164.07 14.02 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.09 1.356 . . . . 0.0 113.366 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -67.45 -16.64 64.33 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 6.5 tmm? -74.91 63.45 1.2 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.308 1.843 . . . . 0.0 111.545 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 43.0 p -140.71 -16.36 0.89 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.464 2.305 . . . . 0.0 113.021 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 32.4 pt -129.36 33.57 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 127.161 2.184 . . . . 0.0 111.532 -175.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 19.3 m -57.87 -17.12 14.41 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -169.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -70.08 -14.16 62.54 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.489 1.116 . . . . 0.0 113.107 169.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -131.42 -4.69 3.78 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.636 2.374 . . . . 0.0 113.995 -174.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.91 164.52 4.8 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.692 1.133 . . . . 0.0 112.861 174.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -67.09 -32.09 73.01 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.896 -1.128 . . . . 0.0 113.059 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -82.31 69.01 3.41 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.6 1.572 . . . . 0.0 113.887 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -132.92 155.43 49.09 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.428 1.891 . . . . 0.0 112.153 175.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . 0.258 4.9 t 45.08 -160.5 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 128.531 2.732 . . . . 0.0 115.296 173.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -146.19 173.41 26.49 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 126.915 2.197 . . . . 0.0 112.477 175.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.65 130.56 94.58 Favored Pre-proline 0 CA--C 1.553 1.058 0 C-N-CA 123.949 0.899 . . . . 0.0 111.537 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -61.88 166.66 11.77 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.675 2.917 . . . . 0.0 115.226 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.22 51.0 1.7 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.366 1.466 . . . . 0.0 109.061 168.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 8.4 mp 61.19 0.12 0.39 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 129.26 3.024 . . . . 0.0 116.052 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 24.2 t -60.06 -56.54 20.33 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.81 1.244 . . . . 0.0 114.196 -176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 6.0 t -100.23 -6.19 26.44 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.956 1.303 . . . . 0.0 113.254 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 8.5 ttm -72.57 121.24 19.36 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.245 1.418 . . . . 0.0 111.777 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 65.6 p -63.98 163.29 12.44 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.561 0.744 . . . . 0.0 112.073 174.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.98 -38.43 85.94 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.003 -1.061 . . . . 0.0 112.588 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.39 -36.09 78.63 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.241 -0.912 . . . . 0.0 112.895 175.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.32 -37.45 74.72 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.825 -1.172 . . . . 0.0 112.211 172.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -60.1 -42.91 95.71 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.163 0.985 . . . . 0.0 111.111 171.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 45.0 mt -57.05 -53.86 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.698 1.199 . . . . 0.0 110.871 170.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.68 77.09 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.722 1.147 . . . . 0.0 113.478 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -60.33 -46.39 90.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.86 1.264 . . . . 0.0 111.661 169.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.46 -46.75 83.29 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.473 -0.767 . . . . 0.0 112.967 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 50.1 mtt -55.85 -51.67 66.71 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.697 1.199 . . . . 0.0 111.212 175.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -55.55 -44.18 76.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.125 0.97 . . . . 0.0 113.058 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.7 mtm -62.81 -48.81 77.51 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.726 0.694 . . . . 0.0 111.788 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 47.7 p -63.83 -33.02 74.74 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.37 -48.32 81.8 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.99 1.316 . . . . 0.0 111.203 170.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.85 -36.63 84.95 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.568 -0.708 . . . . 0.0 112.116 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -59.8 -40.03 96.14 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 123.755 0.693 . . . . 0.0 112.894 169.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -71.01 -0.87 10.34 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.383 1.873 . . . . 0.0 114.834 172.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 86.98 11.92 0.14 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 130.008 3.323 . . . . 0.0 113.392 172.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -63.67 114.93 4.29 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.12 -0.988 . . . . 0.0 110.644 171.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -176.09 -165.85 32.54 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.667 1.127 . . . . 0.0 113.447 -172.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -65.92 -2.42 3.89 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -54.5 130.83 41.15 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.228 1.411 . . . . 0.0 112.845 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.31 -38.98 92.95 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.676 1.19 . . . . 0.0 113.338 -174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 15.9 t -153.61 168.12 27.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.422 1.489 . . . . 0.0 111.916 175.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -135.51 4.61 3.13 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.903 2.081 . . . . 0.0 113.197 173.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--O 1.255 1.349 0 C-N-CA 126.097 1.759 . . . . 0.0 114.135 -179.525 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.609 0.719 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -89.63 78.49 6.98 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 125.367 1.467 . . . . 0.0 111.8 -170.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.25 121.73 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.841 1.656 . . . . 0.0 110.285 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.3 m -79.6 140.71 37.04 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.899 -0.5 . . . . 0.0 109.98 169.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.3 mt -116.45 153.41 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.836 1.655 . . . . 0.0 111.807 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -134.72 133.49 40.01 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.943 1.697 . . . . 0.0 110.523 169.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 p -91.17 166.28 13.04 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.095 1.358 . . . . 0.0 111.617 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' B' ' 290' ' ' ALA . 34.7 mt -70.94 -14.66 62.45 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.177 -0.952 . . . . 0.0 113.262 172.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -86.67 10.58 15.25 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.009 1.724 . . . . 0.0 112.027 169.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 67.91 16.18 9.6 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.053 2.141 . . . . 0.0 113.953 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -89.39 155.53 19.28 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.417 1.087 . . . . 0.0 110.158 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.1 p -136.27 139.55 42.77 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.638 -0.664 . . . . 0.0 112.721 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -142.66 174.15 10.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.549 1.939 . . . . 0.0 110.74 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -131.45 141.34 49.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.391 1.076 . . . . 0.0 111.896 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mm -132.58 111.8 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.692 1.997 . . . . 0.0 109.454 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -76.21 104.37 6.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 122.856 0.462 . . . . 0.0 110.626 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.9 tp -119.29 150.18 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 126.609 1.964 . . . . 0.0 111.023 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.93 114.5 33.33 Favored Pre-proline 0 CA--C 1.55 0.969 0 O-C-N 121.162 -0.961 . . . . 0.0 111.368 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.27 -16.7 31.39 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.881 2.387 . . . . 0.0 113.564 -175.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -73.91 -18.55 60.89 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.659 1.583 . . . . 0.0 112.906 170.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -87.02 178.1 7.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.829 1.252 . . . . 0.0 111.985 173.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 42.5 p -91.21 173.37 7.96 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -173.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 53' ' ' LEU . 77.6 t -59.98 -34.02 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.195 0.998 . . . . 0.0 111.459 173.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.75 -34.19 71.12 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.182 -0.949 . . . . 0.0 112.508 171.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.56 -37.59 74.02 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.077 0.853 . . . . 0.0 112.868 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.19 -53.7 52.7 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.575 -1.328 . . . . 0.0 110.082 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -51.37 -43.07 61.77 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -45.57 92.79 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.565 1.075 . . . . 0.0 112.716 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -68.52 -37.56 80.14 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.488 0.715 . . . . 0.0 112.243 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.6 mt -59.4 -51.59 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.369 1.067 . . . . 0.0 110.598 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -46.47 79.79 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.489 1.116 . . . . 0.0 111.602 177.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -59.15 -49.16 78.94 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.955 1.302 . . . . 0.0 112.791 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.88 -58.09 4.63 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.597 1.159 . . . . 0.0 112.813 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.45 -18.75 54.44 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.955 1.302 . . . . 0.0 113.875 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.66 139.21 6.13 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 126.676 2.084 . . . . 0.0 112.135 -171.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -67.08 -17.16 64.76 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.44 -43.88 97.76 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.6 -0.687 . . . . 0.0 111.353 169.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.99 -46.36 14.09 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.549 1.14 . . . . 0.0 112.09 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -138.06 76.19 39.72 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.491 1.516 . . . . 0.0 111.957 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.45 142.3 44.57 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.622 2.215 . . . . 0.0 110.06 174.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.3 t -51.92 -46.45 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 121.177 -0.952 . . . . 0.0 112.03 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.47 -17.64 64.76 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.28 -26.16 7.49 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.328 1.442 . . . . 0.0 114.136 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -62.58 141.89 58.26 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.561 1.144 . . . . 0.0 113.262 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -129.94 141.73 50.74 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.743 2.017 . . . . 0.0 107.991 168.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.36 127.37 46.5 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.2 1.8 . . . . 0.0 110.456 -169.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.79 125.86 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.802 1.241 . . . . 0.0 111.212 -169.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -130.95 146.45 52.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.995 1.318 . . . . 0.0 111.89 171.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.23 29.65 3.84 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.783 1.233 . . . . 0.0 114.301 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.51 13.21 83.14 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.998 1.285 . . . . 0.0 115.221 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -125.7 133.77 52.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.79 2.036 . . . . 0.0 111.177 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -69.27 126.48 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 121.687 0.756 . . . . 0.0 111.113 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' HB3' HG21 ' A' ' 23' ' ' VAL . 28.8 mt -69.4 120.05 14.61 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.747 2.019 . . . . 0.0 110.726 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -69.44 124.66 24.48 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.989 0.915 . . . . 0.0 111.55 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.61 -50.43 42.83 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.406 1.882 . . . . 0.0 114.511 -172.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.57 -14.74 59.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.096 1.358 . . . . 0.0 113.806 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.0 m -82.53 149.95 27.22 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.91 1.284 . . . . 0.0 110.8 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.525 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.97 155.79 32.42 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.98 -31.33 72.18 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.551 -0.718 . . . . 0.0 112.879 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -48.47 -39.81 24.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.676 1.99 . . . . 0.0 113.135 171.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -65.56 -16.41 63.66 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.768 1.627 . . . . 0.0 114.446 -174.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -114.84 -1.27 13.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.567 1.547 . . . . 0.0 112.503 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm 46.65 39.9 7.7 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.753 2.421 . . . . 0.0 113.719 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 53.6 mt -59.66 137.16 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.471 1.508 . . . . 0.0 109.816 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -103.99 162.81 12.82 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.027 1.331 . . . . 0.0 111.711 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -82.69 -37.32 24.96 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.225 1.01 . . . . 0.0 112.931 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -78.36 -39.06 40.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.582 1.553 . . . . 0.0 111.52 -176.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -73.95 166.68 22.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.878 1.271 . . . . 0.0 110.347 171.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -116.11 151.33 35.82 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 122.266 1.031 . . . . 0.0 113.703 -176.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.8 158.37 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 127.641 2.377 . . . . 0.0 107.451 169.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.2 t -105.45 124.41 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 121.276 -0.89 . . . . 0.0 110.211 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -104.77 138.01 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.568 1.547 . . . . 0.0 109.624 171.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.4 ptm -138.05 163.34 31.83 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.807 1.243 . . . . 0.0 111.085 170.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.12 111.8 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 124.674 1.19 . . . . 0.0 110.08 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.6 p -86.16 142.79 28.38 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.355 1.062 . . . . 0.0 113.471 -171.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -157.78 168.2 12.93 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 127.47 2.308 . . . . 0.0 110.616 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -58.04 170.69 2.01 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.621 2.881 . . . . 0.0 114.638 169.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -71.23 -16.9 62.52 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.705 0.802 . . . . 0.0 112.93 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.83 171.42 15.21 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.805 2.042 . . . . 0.0 112.127 169.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.7 t 51.06 70.67 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 126.024 1.73 . . . . 0.0 110.964 -175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m -137.23 171.7 14.1 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.189 1.796 . . . . 0.0 112.051 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.6 p -64.66 163.4 27.91 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 125.022 1.329 . . . . 0.0 112.635 170.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.24 160.81 6.01 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.794 2.996 . . . . 0.0 114.727 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.95 162.01 42.0 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 125.38 1.472 . . . . 0.0 112.789 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.59 -2.69 12.2 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.502 2.801 . . . . 0.0 115.332 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -143.23 166.47 24.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.765 2.026 . . . . 0.0 111.361 170.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 34.1 p -77.69 -20.85 52.93 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.74 -43.45 80.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.001 1.321 . . . . 0.0 112.789 -175.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -62.73 -11.89 20.45 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.427 1.491 . . . . 0.0 114.203 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -112.6 4.55 17.34 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.707 2.003 . . . . 0.0 112.793 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -135.26 12.85 3.55 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.037 2.135 . . . . 0.0 112.43 -175.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.436 ' CG ' ' H ' ' A' ' 93' ' ' HIS . 12.9 t-80 -74.19 -175.79 2.38 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.422 1.889 . . . . 0.0 112.892 -175.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.436 ' H ' ' CG ' ' A' ' 92' ' ' HIS . 79.7 m-70 -61.3 -0.66 0.39 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.791 2.036 . . . . 0.0 115.668 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -63.72 -18.11 63.69 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.009 1.324 . . . . 0.0 113.8 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 69.0 t60 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.66 1.984 . . . . 0.0 113.107 178.173 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 16.2 t -142.05 179.45 6.88 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.45 1.9 . . . . 0.0 111.174 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -56.83 -30.87 64.18 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.832 1.253 . . . . 0.0 113.089 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 65.6 mtt -76.91 -13.13 60.02 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.258 1.423 . . . . 0.0 114.357 176.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 32.9 m -71.32 105.37 3.47 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.694 1.198 . . . . 0.0 111.111 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 47.3 pt -65.53 169.72 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.067 1.347 . . . . 0.0 113.051 176.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 21.6 m -59.83 155.39 16.34 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.293 1.437 . . . . 0.0 113.726 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -68.44 172.65 5.78 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.674 1.19 . . . . 0.0 113.718 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -130.97 175.51 9.02 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.533 1.933 . . . . 0.0 111.102 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.1 -23.94 10.61 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.854 1.661 . . . . 0.0 113.928 -177.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 57.58 -9.53 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 129.124 2.97 . . . . 0.0 117.909 175.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 175.09 -166.19 37.68 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.135 1.35 . . . . 0.0 113.526 -175.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -65.09 90.51 0.09 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.228 1.811 . . . . 0.0 111.946 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 34.4 p -83.67 -12.76 55.5 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.311 1.444 . . . . 0.0 113.993 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -88.37 -98.3 0.96 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.017 1.294 . . . . 0.0 114.312 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 16.3 tp -147.35 148.05 30.31 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.597 1.559 . . . . 0.0 110.831 -170.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.05 163.78 18.71 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.73 2.287 . . . . 0.0 114.001 171.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -83.19 54.9 2.93 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.498 1.119 . . . . 0.0 108.418 168.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 10.1 mp 62.47 0.21 0.6 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 129.011 2.925 . . . . 0.0 115.425 -169.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 6.9 m -52.61 -62.23 1.78 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.849 1.66 . . . . 0.0 113.773 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 15.0 m -88.46 -11.98 44.36 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.331 1.052 . . . . 0.0 113.802 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 64.5 mtm -71.63 127.74 33.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.126 0.97 . . . . 0.0 113.057 -175.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 7.3 m -63.95 164.33 10.58 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.459 1.904 . . . . 0.0 109.84 169.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.53 -40.43 75.07 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.311 -1.493 . . . . 0.0 112.448 175.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.7 -32.45 73.95 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.286 -0.884 . . . . 0.0 113.03 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.0 -39.74 49.29 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.477 1.111 . . . . 0.0 111.588 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -59.37 -44.85 92.66 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.402 1.081 . . . . 0.0 111.163 169.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 41.1 mt -56.96 -53.45 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.854 1.261 . . . . 0.0 110.911 170.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.03 -33.54 73.45 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.037 1.289 . . . . 0.0 113.434 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -63.68 -45.63 89.21 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.249 1.019 . . . . 0.0 111.684 169.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . 0.438 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -56.69 -47.76 79.16 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.208 1.003 . . . . 0.0 112.713 171.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 43.4 mtt -54.13 -57.81 9.71 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 125.731 1.613 . . . . 0.0 110.801 173.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.76 -41.88 67.64 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.879 1.271 . . . . 0.0 113.577 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.99 -53.34 47.71 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.078 0.853 . . . . 0.0 111.596 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 47.2 t -53.99 -47.6 71.26 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.613 1.565 . . . . 0.0 113.5 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 24.2 tp -58.61 -41.3 85.58 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 128.23 2.612 . . . . 0.0 112.415 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -76.99 -32.81 57.48 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.703 0.801 . . . . 0.0 112.741 174.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -60.21 -36.98 92.21 Favored Glycine 0 CA--C 1.536 1.395 0 O-C-N 121.641 -0.662 . . . . 0.0 112.311 169.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -73.39 -64.85 0.9 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.01 1.724 . . . . 0.0 113.725 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -146.58 -33.47 0.3 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -169.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -77.13 173.56 11.7 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.199 1.0 . . . . 0.0 113.64 -173.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 96.61 5.75 58.71 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.786 1.184 . . . . 0.0 115.238 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -137.66 149.59 46.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.928 1.691 . . . . 0.0 111.115 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -73.47 172.46 11.26 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.346 1.458 . . . . 0.0 113.36 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.79 167.24 19.88 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.322 1.849 . . . . 0.0 112.986 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 56.1 p -68.92 -10.43 57.17 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -70.17 -22.31 62.98 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 34.6 t70 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.757 1.623 . . . . 0.0 113.502 177.672 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttp . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.81 83.12 7.25 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.979 0.912 . . . . 0.0 111.525 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.3 t -60.06 115.53 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.548 1.139 . . . . 0.0 108.902 169.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -79.29 140.31 37.61 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.968 0.413 . . . . 0.0 109.931 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.1 mt -118.06 153.07 34.34 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.78 1.632 . . . . 0.0 111.956 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -133.28 130.18 38.61 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 126.236 1.814 . . . . 0.0 109.576 168.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.8 p -82.0 169.34 16.86 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.103 1.361 . . . . 0.0 111.726 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -64.55 -19.38 65.6 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -96.39 16.18 19.25 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.031 1.332 . . . . 0.0 111.875 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 61.37 27.37 17.0 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.672 2.389 . . . . 0.0 114.849 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -89.11 154.27 20.3 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.878 0.871 . . . . 0.0 109.464 171.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 63.3 p -135.63 145.86 47.27 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -171.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -147.75 171.52 15.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.951 2.101 . . . . 0.0 110.81 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -122.48 142.76 50.23 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.744 1.218 . . . . 0.0 111.58 169.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.7 mm -126.84 108.26 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 126.925 2.09 . . . . 0.0 108.691 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.7 102.62 2.84 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.895 0.478 . . . . 0.0 110.754 172.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 tp -121.57 150.78 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 126.468 1.907 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.65 119.13 72.29 Favored Pre-proline 0 CA--C 1.552 1.046 0 O-C-N 120.829 -1.17 . . . . 0.0 110.825 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.24 -12.86 28.04 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.033 2.489 . . . . 0.0 114.355 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -87.84 -13.75 41.31 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.035 -1.041 . . . . 0.0 112.583 171.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -80.89 179.63 7.75 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.234 1.014 . . . . 0.0 110.925 169.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.504 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 29.9 p -94.69 173.99 7.33 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 -169.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' A' ' 53' ' ' LEU . 88.2 t -61.59 -36.48 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.345 1.058 . . . . 0.0 111.023 170.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.21 -37.01 81.47 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.057 -1.027 . . . . 0.0 112.103 170.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.74 93.94 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 118.942 0.792 . . . . 0.0 112.931 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 tp -55.37 -54.61 41.5 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.843 -1.161 . . . . 0.0 110.983 169.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -51.45 -41.26 60.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.457 1.103 . . . . 0.0 113.206 171.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -51.28 63.52 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.171 1.388 . . . . 0.0 111.889 172.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -70.19 -35.78 74.17 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.472 0.709 . . . . 0.0 112.597 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.52 -53.81 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.544 1.138 . . . . 0.0 110.078 169.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.3 -46.62 85.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.724 0.81 . . . . 0.0 112.144 177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -59.15 -48.55 81.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.482 1.113 . . . . 0.0 112.66 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.92 -53.79 10.39 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.655 1.182 . . . . 0.0 112.706 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -86.82 -11.93 49.45 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.911 1.284 . . . . 0.0 114.103 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.73 143.92 15.25 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 127.282 2.373 . . . . 0.0 113.965 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -63.71 -28.95 70.24 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.901 1.28 . . . . 0.0 113.962 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.07 -58.05 8.59 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 122.361 1.076 . . . . 0.0 111.505 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.21 -40.4 59.25 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.79 1.636 . . . . 0.0 113.522 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.02 68.34 56.82 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.143 0.977 . . . . 0.0 113.573 -171.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.35 144.47 45.86 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.132 2.555 . . . . 0.0 110.983 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.42 -53.48 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 125.545 1.538 . . . . 0.0 111.91 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.2 -15.68 36.77 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.056 1.343 . . . . 0.0 114.618 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.68 -16.34 42.76 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.957 1.265 . . . . 0.0 114.627 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -81.78 144.41 31.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.234 1.517 . . . . 0.0 112.944 -174.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -128.95 134.46 48.21 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.645 1.978 . . . . 0.0 107.517 168.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.04 125.47 48.41 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.629 1.971 . . . . 0.0 109.888 -169.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.23 127.2 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.577 1.151 . . . . 0.0 111.208 -170.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -132.11 144.08 50.46 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.987 1.315 . . . . 0.0 110.924 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.85 30.07 4.86 Favored 'General case' 0 CA--C 1.556 1.191 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.67 18.34 79.46 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 126.59 2.043 . . . . 0.0 115.409 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -128.15 127.16 42.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.938 2.095 . . . . 0.0 110.738 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 mt -68.12 124.65 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.734 -0.603 . . . . 0.0 110.344 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' HB3' HG21 ' A' ' 23' ' ' VAL . 27.2 mt -68.11 129.06 38.77 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.211 1.804 . . . . 0.0 111.021 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -74.04 123.15 23.81 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.976 0.911 . . . . 0.0 111.75 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.55 -47.48 19.64 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.868 1.667 . . . . 0.0 114.33 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -81.37 -15.75 54.33 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 98.4 m -80.22 143.77 33.48 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.089 -1.007 . . . . 0.0 110.766 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.504 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -76.92 152.25 35.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.46 -33.9 76.58 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.412 -0.805 . . . . 0.0 113.094 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -54.5 -27.52 38.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.071 1.348 . . . . 0.0 114.467 173.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -72.39 -17.36 61.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.935 1.294 . . . . 0.0 113.235 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -108.32 -3.73 18.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.032 1.733 . . . . 0.0 112.707 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt 50.64 32.07 6.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.922 2.489 . . . . 0.0 114.348 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.1 mt -58.13 143.44 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.809 1.644 . . . . 0.0 109.559 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -122.85 158.83 29.44 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.061 1.344 . . . . 0.0 111.458 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -71.96 -28.34 63.38 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.174 0.99 . . . . 0.0 113.563 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -81.38 -36.27 29.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.248 1.419 . . . . 0.0 112.638 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -68.64 173.09 5.43 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.417 1.487 . . . . 0.0 111.358 170.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -130.41 149.92 51.87 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 122.035 0.922 . . . . 0.0 113.284 171.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.21 163.57 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 127.608 2.363 . . . . 0.0 109.059 170.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.3 t -108.35 133.06 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.538 -0.726 . . . . 0.0 110.666 172.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.68 140.04 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.676 1.591 . . . . 0.0 109.978 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.2 ptm -138.55 156.81 47.16 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.436 1.094 . . . . 0.0 111.574 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.3 p -124.54 102.09 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.727 1.211 . . . . 0.0 109.9 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 p -76.07 147.07 38.92 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.469 0.708 . . . . 0.0 112.61 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? 35.12 72.46 0.72 Allowed Pre-proline 0 N--CA 1.482 1.128 0 C-N-CA 127.984 2.514 . . . . 0.0 114.093 -171.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.73 173.74 0.49 Allowed 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.345 3.363 . . . . 0.0 114.966 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -68.54 -2.53 9.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.219 1.407 . . . . 0.0 114.097 169.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.82 177.42 8.05 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.443 2.297 . . . . 0.0 112.006 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.262 12.3 m 53.24 -7.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 130.817 3.647 . . . . 0.0 118.289 177.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.9 p -67.57 167.43 12.97 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.09 1.756 . . . . 0.0 113.161 170.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.6 p -69.62 162.24 68.68 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.911 1.285 . . . . 0.0 112.746 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -55.84 164.34 4.74 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.884 3.056 . . . . 0.0 114.912 174.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.44 163.34 50.2 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 126.258 1.823 . . . . 0.0 111.503 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -53.99 137.44 69.07 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.641 2.894 . . . . 0.0 113.81 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.56 88.7 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.879 0.872 . . . . 0.0 111.242 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 93.2 m -88.7 86.49 7.0 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.18 -13.18 16.09 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.508 1.523 . . . . 0.0 114.993 -169.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -54.81 -24.4 22.63 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.188 1.395 . . . . 0.0 113.674 172.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -71.97 -12.28 61.17 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -65.78 158.6 27.23 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.35 1.06 . . . . 0.0 112.883 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -65.68 162.32 18.74 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.9 1.28 . . . . 0.0 112.828 173.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -75.69 -3.38 34.32 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.369 1.468 . . . . 0.0 114.903 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -126.7 156.36 41.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.651 1.58 . . . . 0.0 111.804 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.1 m80 . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.237 1.815 . . . . 0.0 112.707 171.598 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 112.116 -0.394 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 20.7 m -64.89 -20.76 66.6 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -174.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -71.74 86.98 0.95 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.227 1.411 . . . . 0.0 111.282 173.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 60.6 ttm -55.35 110.41 0.69 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.577 1.951 . . . . 0.0 112.397 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 37.3 p -62.8 -34.55 77.51 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.91 1.284 . . . . 0.0 114.343 -173.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 16.3 tt -74.66 -15.85 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 124.508 1.123 . . . . 0.0 113.394 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 7.4 t -82.14 -165.51 1.02 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.346 1.458 . . . . 0.0 111.512 170.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -68.42 70.13 0.16 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.693 1.997 . . . . 0.0 112.462 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -64.1 -12.86 43.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.529 1.532 . . . . 0.0 114.51 177.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -75.25 -10.56 59.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.404 1.482 . . . . 0.0 114.592 -171.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -56.12 109.14 0.54 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.699 1.2 . . . . 0.0 111.713 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 132.84 -12.65 5.08 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.848 1.689 . . . . 0.0 114.526 -175.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 41.9 ptt85 -137.06 167.34 21.72 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.803 1.641 . . . . 0.0 112.702 172.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 53.5 p -79.98 -44.09 20.86 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.053 1.341 . . . . 0.0 112.794 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 81.34 2.59 90.56 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.597 1.57 . . . . 0.0 116.109 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.36 121.92 77.32 Favored Pre-proline 0 CA--C 1.553 1.074 0 CA-C-N 119.0 1.4 . . . . 0.0 111.145 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.77 171.2 1.59 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 124.034 3.156 . . . . 0.0 114.944 173.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -81.81 55.38 2.71 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 122.685 1.231 . . . . 0.0 108.908 168.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 9.9 mt 68.58 -12.3 0.37 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 130.821 3.648 . . . . 0.0 116.222 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 21.6 m -55.41 -57.72 10.72 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -170.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 17.5 m -100.57 -8.55 22.91 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -170.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 19.2 ptp -82.38 172.07 13.48 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 79.5 p -89.71 164.15 14.81 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.087 1.355 . . . . 0.0 111.994 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.78 -35.21 74.18 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.948 -1.095 . . . . 0.0 112.856 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.72 -37.26 83.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.089 0.956 . . . . 0.0 112.507 175.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -72.42 -37.71 68.55 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.676 0.79 . . . . 0.0 112.154 173.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -60.12 -45.33 93.35 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.97 0.804 . . . . 0.0 110.392 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.36 -52.48 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.551 1.54 . . . . 0.0 111.201 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.74 -33.85 73.55 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.682 1.128 . . . . 0.0 113.454 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -60.87 -48.33 82.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.959 0.904 . . . . 0.0 111.529 170.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.85 83.89 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.9 mtt -55.62 -52.31 64.24 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.334 1.054 . . . . 0.0 111.769 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.38 -43.58 88.52 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 62.4 mtm -63.61 -44.55 93.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.169 0.895 . . . . 0.0 111.952 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 25.0 p -64.97 -26.13 68.16 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.79 -36.03 79.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.043 0.937 . . . . 0.0 112.086 170.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.99 -34.53 64.23 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.116 0.966 . . . . 0.0 112.689 173.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -68.27 -25.55 74.58 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 123.467 0.556 . . . . 0.0 113.909 170.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -81.67 -84.7 0.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.897 2.079 . . . . 0.0 113.882 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -139.16 -6.75 1.39 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -169.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -66.95 155.16 39.26 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.995 -1.066 . . . . 0.0 111.103 177.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 74.47 2.65 64.14 Favored Glycine 0 CA--C 1.541 1.683 0 N-CA-C 115.911 1.124 . . . . 0.0 115.911 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -63.55 104.95 0.7 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.595 1.558 . . . . 0.0 111.781 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -69.42 167.35 16.77 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.854 1.261 . . . . 0.0 113.388 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.16 -26.7 67.88 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.763 1.225 . . . . 0.0 113.427 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 66.3 p -63.49 -12.31 30.87 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.453 1.501 . . . . 0.0 114.541 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -124.21 7.81 8.5 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.902 2.081 . . . . 0.0 113.534 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.819 1.648 . . . . 0.0 113.921 174.899 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.1 ttp . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.75 79.24 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.881 0.872 . . . . 0.0 111.329 -171.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.16 133.57 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.304 1.442 . . . . 0.0 109.7 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.3 m -80.02 135.77 36.44 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.787 -0.57 . . . . 0.0 109.818 169.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.86 149.59 30.38 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.101 1.76 . . . . 0.0 110.612 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -138.99 139.41 37.89 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.388 1.875 . . . . 0.0 111.314 173.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -102.51 166.53 10.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.334 1.453 . . . . 0.0 112.348 -176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 mt -72.07 -13.43 61.59 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 172.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -85.2 6.53 25.5 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.245 1.418 . . . . 0.0 111.09 169.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 61.64 27.14 16.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.004 2.522 . . . . 0.0 113.753 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -89.33 154.93 19.7 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.582 1.153 . . . . 0.0 110.043 171.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.5 p -136.42 146.08 46.01 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.911 0.884 . . . . 0.0 112.658 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -150.67 -169.26 3.34 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.917 2.087 . . . . 0.0 110.209 176.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.12 149.96 51.11 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.812 -1.18 . . . . 0.0 112.033 170.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mm -126.84 115.72 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.753 2.021 . . . . 0.0 109.029 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -74.52 102.0 4.36 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.95 0.5 . . . . 0.0 110.137 169.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.0 tp -118.44 148.05 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.782 1.633 . . . . 0.0 111.116 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -75.0 114.54 35.91 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.103 0.961 . . . . 0.0 111.385 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.45 -20.61 31.37 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.967 2.444 . . . . 0.0 113.914 -174.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.92 -20.37 61.08 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.739 1.215 . . . . 0.0 112.999 172.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -82.19 178.52 8.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.578 1.151 . . . . 0.0 111.644 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 47.1 p -94.49 173.43 7.62 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -173.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.415 HG21 ' HB3' ' A' ' 53' ' ' LEU . 55.0 t -59.85 -32.21 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 124.349 1.06 . . . . 0.0 111.641 172.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -59.97 -38.85 83.71 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.759 -1.213 . . . . 0.0 112.054 170.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.83 -35.76 81.59 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 174.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.61 -55.1 39.24 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.098 -1.001 . . . . 0.0 110.791 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -49.93 -44.38 50.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.07 0.948 . . . . 0.0 113.169 171.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.4 -53.83 32.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.255 1.822 . . . . 0.0 112.082 171.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -69.02 -34.54 75.4 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.499 -0.751 . . . . 0.0 112.897 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.03 -49.16 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 123.852 0.861 . . . . 0.0 110.757 170.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -58.73 -42.41 88.66 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.072 0.851 . . . . 0.0 111.227 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.9 t -58.73 -51.34 70.39 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.041 1.336 . . . . 0.0 112.253 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -70.13 -56.19 7.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.748 0.819 . . . . 0.0 113.13 -177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -84.32 -18.19 37.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.048 1.339 . . . . 0.0 113.66 -171.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.5 136.76 6.15 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.577 2.036 . . . . 0.0 113.079 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -58.46 -21.26 50.74 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.818 2.447 . . . . 0.0 114.604 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -63.26 -29.25 70.62 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.176 0.99 . . . . 0.0 112.928 170.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.46 -41.14 3.93 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.669 1.587 . . . . 0.0 112.749 -173.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -136.91 70.65 57.29 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 126.063 1.745 . . . . 0.0 111.676 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.72 144.49 49.07 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.728 2.285 . . . . 0.0 110.786 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.83 -45.67 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 125.017 1.327 . . . . 0.0 111.99 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.21 -23.54 67.11 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.66 -25.91 8.36 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.171 1.367 . . . . 0.0 114.18 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -66.02 135.81 55.18 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.415 1.086 . . . . 0.0 113.34 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -119.89 138.24 53.54 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.882 2.073 . . . . 0.0 106.953 168.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.15 121.83 39.66 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.195 1.798 . . . . 0.0 109.542 -171.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mp -129.66 128.71 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.922 1.289 . . . . 0.0 111.001 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -134.93 144.53 47.51 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.34 1.456 . . . . 0.0 110.841 173.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.49 33.11 3.75 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.96 10.58 86.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 127.119 2.295 . . . . 0.0 115.987 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -128.61 137.29 51.61 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.064 1.746 . . . . 0.0 112.165 -175.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 mt -75.41 127.03 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.717 0.807 . . . . 0.0 110.642 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.415 ' HB3' HG21 ' A' ' 23' ' ' VAL . 35.1 mt -70.5 131.51 44.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.833 2.053 . . . . 0.0 111.77 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -72.43 119.45 16.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.41 1.084 . . . . 0.0 111.419 175.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -53.39 -37.68 62.68 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -174.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.03 -15.77 52.5 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.2 m -83.98 148.45 26.88 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.442 1.097 . . . . 0.0 111.081 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -78.19 156.05 30.03 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.04 -32.97 74.75 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.883 0.873 . . . . 0.0 113.315 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.96 -28.04 68.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.716 1.207 . . . . 0.0 113.779 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -67.77 -16.09 63.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.585 1.154 . . . . 0.0 113.172 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -109.31 -0.41 19.12 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.493 1.917 . . . . 0.0 112.526 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 49.52 33.4 5.69 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.824 2.449 . . . . 0.0 114.376 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.6 140.19 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.871 1.269 . . . . 0.0 109.733 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.73 159.03 23.67 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.93 1.292 . . . . 0.0 111.266 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.44 -34.24 76.81 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.123 0.969 . . . . 0.0 112.881 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -76.67 -33.63 58.26 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.985 1.314 . . . . 0.0 112.862 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -72.7 165.38 24.9 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.856 0.862 . . . . 0.0 110.747 171.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -114.64 149.25 36.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.723 0.809 . . . . 0.0 112.359 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -103.22 155.89 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 126.407 1.883 . . . . 0.0 108.3 169.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.6 t -107.76 121.59 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.353 0.597 . . . . 0.0 109.701 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.83 133.99 47.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 125.037 1.335 . . . . 0.0 109.641 172.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.7 ptm -133.92 163.86 28.58 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.689 1.196 . . . . 0.0 110.446 169.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.0 116.26 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.176 0.99 . . . . 0.0 109.378 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.4 p -74.27 165.81 24.53 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.539 -0.726 . . . . 0.0 112.478 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -67.27 156.26 88.65 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.183 0.993 . . . . 0.0 112.861 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -56.14 164.83 4.63 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.014 3.142 . . . . 0.0 115.978 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -78.38 -12.44 60.01 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.271 1.428 . . . . 0.0 114.519 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.57 177.47 8.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.613 1.965 . . . . 0.0 112.556 174.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.72 91.62 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.921 1.289 . . . . 0.0 110.005 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.3 p -99.29 0.91 44.02 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.513 1.525 . . . . 0.0 114.202 -176.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.2 p -77.7 159.9 75.71 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 126.353 1.861 . . . . 0.0 112.248 171.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.57 174.72 11.22 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.319 2.679 . . . . 0.0 112.455 173.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 157.57 46.15 Favored Pre-proline 0 CA--C 1.555 1.158 0 C-N-CA 124.099 0.96 . . . . 0.0 112.83 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -55.64 160.69 8.98 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.826 3.017 . . . . 0.0 114.703 175.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.46 1.48 7.95 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.397 1.479 . . . . 0.0 114.68 177.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.5 p -56.6 -28.89 61.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.599 1.56 . . . . 0.0 114.884 -174.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -64.49 -15.53 60.96 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 176.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -67.86 -24.9 65.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.456 1.103 . . . . 0.0 112.919 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -75.45 43.88 0.25 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.39 1.876 . . . . 0.0 112.424 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -43.26 -45.35 5.76 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.513 2.325 . . . . 0.0 115.094 -169.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -58.21 -27.7 64.15 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.929 1.292 . . . . 0.0 114.215 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -104.24 -32.79 8.94 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.999 1.719 . . . . 0.0 112.428 175.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -72.72 -36.24 67.75 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.208 1.403 . . . . 0.0 113.417 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--O 1.254 1.324 0 C-N-CA 124.973 1.309 . . . . 0.0 112.503 175.811 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 66.5 m -77.91 -15.12 59.26 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -67.07 159.11 29.47 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.553 1.141 . . . . 0.0 112.428 176.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 24.0 ptp -65.53 -20.93 66.54 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 14.9 t -151.76 166.65 30.69 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.909 1.684 . . . . 0.0 111.375 173.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . 0.443 HD13 ' H ' ' B' ' 265' ' ' ILE . 0.1 OUTLIER -115.62 -4.31 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.077 1.751 . . . . 0.0 112.938 171.498 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 32.7 t -70.83 143.0 51.25 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.964 0.906 . . . . 0.0 112.315 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -76.64 -17.51 59.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.329 1.052 . . . . 0.0 112.764 169.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 34.51 71.25 0.11 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 128.424 2.69 . . . . 0.0 113.58 -172.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -69.23 -14.84 63.19 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.413 1.085 . . . . 0.0 113.852 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 42.9 t80 37.96 -87.81 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 129.74 3.216 . . . . 0.0 115.539 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -94.94 -11.91 55.99 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.079 1.323 . . . . 0.0 115.665 -176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -60.56 -37.83 82.54 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 119.495 1.648 . . . . 0.0 112.842 -176.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 38.4 p -95.71 -3.62 45.64 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.716 2.007 . . . . 0.0 114.009 -176.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -78.2 171.38 55.13 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.697 1.141 . . . . 0.0 114.273 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.07 122.32 76.75 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.01 1.324 . . . . 0.0 110.826 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.68 170.36 19.26 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.503 2.802 . . . . 0.0 113.135 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -79.44 36.6 0.31 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.56 1.944 . . . . 0.0 111.932 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . 0.255 10.0 mp 72.65 0.07 3.5 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 129.943 3.297 . . . . 0.0 115.178 -176.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 67.7 m -59.91 -51.6 69.0 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 47.2 p -100.32 -0.69 37.9 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.843 1.657 . . . . 0.0 114.654 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 7.5 tpp -66.33 144.98 56.23 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.953 1.701 . . . . 0.0 112.738 -177.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 79.8 p -85.96 162.1 18.69 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.846 0.858 . . . . 0.0 110.821 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.99 -43.79 98.1 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.06 -1.025 . . . . 0.0 112.62 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.16 -34.76 78.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.44 -0.788 . . . . 0.0 112.673 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -70.84 -37.12 73.14 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.104 -0.997 . . . . 0.0 112.5 173.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -59.46 -46.2 89.46 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.478 1.036 . . . . 0.0 110.916 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.91 -55.36 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.993 1.317 . . . . 0.0 111.071 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.63 76.18 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.256 -0.902 . . . . 0.0 113.091 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -61.25 -45.74 93.28 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.464 -0.773 . . . . 0.0 111.631 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.02 90.09 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.082 0.953 . . . . 0.0 113.533 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.9 mtt -57.18 -60.58 3.4 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.931 1.292 . . . . 0.0 110.29 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -50.43 -43.52 54.95 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.261 1.024 . . . . 0.0 112.391 176.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 39.4 ttm -56.55 -57.24 13.21 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.375 1.07 . . . . 0.0 112.662 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 88.2 p -65.01 -36.77 85.48 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.6 -37.29 86.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.218 1.807 . . . . 0.0 112.422 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -61.24 -33.03 72.85 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.791 -1.193 . . . . 0.0 112.161 175.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -63.87 -16.35 59.26 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.6 1.095 . . . . 0.0 114.809 171.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -92.84 4.28 54.15 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.074 1.75 . . . . 0.0 113.92 173.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 101.04 2.14 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 130.326 3.45 . . . . 0.0 112.908 170.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -69.62 -179.71 1.84 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.04 1.336 . . . . 0.0 112.529 170.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -152.17 174.48 31.13 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.429 1.014 . . . . 0.0 114.114 174.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -75.86 167.47 21.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.938 1.695 . . . . 0.0 111.346 174.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -59.43 -25.38 64.3 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.811 -1.181 . . . . 0.0 113.92 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -79.85 -12.39 59.76 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.219 1.408 . . . . 0.0 114.24 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 87.9 p -134.15 -18.75 2.01 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 -170.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -69.24 169.92 11.2 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.23 1.412 . . . . 0.0 113.632 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.252 1.19 0 C-N-CA 127.171 2.188 . . . . 0.0 112.323 175.67 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptm . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -98.24 86.89 3.76 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.035 0.934 . . . . 0.0 110.138 173.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.01 149.12 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.812 -0.555 . . . . 0.0 111.268 173.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.1 m -86.66 134.99 33.57 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 168.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.51 154.94 22.98 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.986 1.714 . . . . 0.0 110.502 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -138.08 125.41 21.79 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.152 1.781 . . . . 0.0 110.946 170.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p -82.63 162.93 21.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.898 0.879 . . . . 0.0 111.893 171.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' B' ' 290' ' ' ALA . 37.8 mt -65.8 -28.11 68.77 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.208 -0.933 . . . . 0.0 112.745 171.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -72.58 8.28 1.5 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.983 1.713 . . . . 0.0 113.448 169.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 71.22 22.53 4.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.875 2.47 . . . . 0.0 114.161 174.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -89.06 119.39 29.53 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.705 0.802 . . . . 0.0 109.833 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.1 p -109.21 120.56 42.9 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.368 1.067 . . . . 0.0 111.479 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -139.26 -173.29 3.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.308 2.243 . . . . 0.0 110.139 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -123.48 156.94 34.62 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.137 -0.977 . . . . 0.0 112.597 173.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -133.93 113.72 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.516 1.927 . . . . 0.0 109.821 175.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -81.18 102.87 10.59 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.743 1.217 . . . . 0.0 109.445 169.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.8 tp -127.0 154.03 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 126.576 1.95 . . . . 0.0 111.586 -174.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -79.43 118.57 73.17 Favored Pre-proline 0 CA--C 1.551 1.006 0 O-C-N 121.356 -0.84 . . . . 0.0 111.735 174.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -67.94 -26.65 37.53 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.214 2.609 . . . . 0.0 113.229 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.09 -19.32 60.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.477 1.511 . . . . 0.0 113.093 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -78.32 171.74 14.62 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.265 1.031 . . . . 0.0 111.556 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 62.5 p -93.75 169.21 10.48 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.39 -0.819 . . . . 0.0 112.989 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 53' ' ' LEU . 61.8 t -58.49 -29.91 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.675 1.19 . . . . 0.0 112.784 -175.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -62.6 -23.63 67.15 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.728 -1.233 . . . . 0.0 113.705 172.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.2 -35.39 59.09 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.168 0.895 . . . . 0.0 112.804 169.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -56.2 -52.6 63.81 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.488 -1.383 . . . . 0.0 109.287 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -50.98 -46.18 61.26 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.196 0.998 . . . . 0.0 113.551 169.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.94 -44.27 91.35 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.802 1.183 . . . . 0.0 112.813 178.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -69.27 -35.75 76.39 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.641 -0.662 . . . . 0.0 112.521 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.07 -46.34 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.898 0.879 . . . . 0.0 111.106 170.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.97 -42.73 85.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.758 0.823 . . . . 0.0 111.224 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.1 t -63.05 -47.59 82.31 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.475 1.11 . . . . 0.0 112.758 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -64.94 -58.95 4.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.541 1.537 . . . . 0.0 112.854 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -84.77 -15.47 44.89 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.358 1.463 . . . . 0.0 113.981 -172.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.37 143.04 5.72 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 126.844 2.164 . . . . 0.0 112.314 -171.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -69.5 -14.65 62.98 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -62.31 -41.77 98.81 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.351 0.66 . . . . 0.0 111.045 169.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.24 -48.08 10.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.493 1.117 . . . . 0.0 111.753 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -138.58 75.89 37.09 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.137 1.375 . . . . 0.0 112.349 -173.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.1 141.59 40.17 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.905 2.403 . . . . 0.0 110.086 174.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.7 t -51.43 -46.8 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.717 -1.24 . . . . 0.0 112.1 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -20.56 66.54 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.49 -20.95 10.27 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.431 1.491 . . . . 0.0 114.334 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -66.73 149.87 49.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.667 1.187 . . . . 0.0 113.547 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -136.95 146.12 45.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.047 2.139 . . . . 0.0 108.234 168.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.5 127.12 41.83 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.352 1.861 . . . . 0.0 109.505 -170.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.85 122.42 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.83 1.252 . . . . 0.0 110.58 -169.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -128.71 134.86 48.6 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.991 1.316 . . . . 0.0 111.808 174.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.91 27.16 4.1 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.589 1.155 . . . . 0.0 113.516 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.04 -9.53 24.88 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.869 2.176 . . . . 0.0 115.205 -172.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -83.23 118.63 23.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.733 1.613 . . . . 0.0 110.095 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mt -64.52 119.47 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 121.346 0.593 . . . . 0.0 110.236 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.483 ' HB3' HG21 ' A' ' 23' ' ' VAL . 28.9 mt -65.93 119.18 10.86 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.433 1.893 . . . . 0.0 110.667 178.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.2 126.3 29.26 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.348 0.659 . . . . 0.0 111.586 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.04 -47.36 22.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.024 1.73 . . . . 0.0 114.475 -175.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -87.99 -1.53 58.05 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.864 1.666 . . . . 0.0 114.258 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -92.41 148.44 22.11 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.836 1.254 . . . . 0.0 110.024 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -79.71 157.17 27.24 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -175.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.54 -29.15 69.16 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.16 -0.962 . . . . 0.0 113.206 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -59.77 -29.65 68.33 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.25 1.42 . . . . 0.0 113.701 173.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -66.86 -16.38 64.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.895 1.278 . . . . 0.0 113.979 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -115.43 1.46 13.68 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.83 1.652 . . . . 0.0 112.456 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 46.02 37.55 3.87 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.132 2.573 . . . . 0.0 114.365 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.8 mt -61.58 142.79 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 125.86 1.664 . . . . 0.0 110.072 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -125.2 155.97 39.19 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.068 1.347 . . . . 0.0 113.001 -173.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -74.64 -29.98 61.46 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.505 1.522 . . . . 0.0 113.974 -176.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.71 -32.66 62.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.24 1.016 . . . . 0.0 112.304 177.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -82.08 177.04 9.04 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.774 1.63 . . . . 0.0 111.35 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -119.66 162.6 18.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.103 1.361 . . . . 0.0 112.501 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.07 157.94 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.869 2.067 . . . . 0.0 109.35 171.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.1 t -107.48 127.51 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.741 -0.599 . . . . 0.0 110.232 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.7 p -112.69 141.4 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 125.328 1.451 . . . . 0.0 110.275 172.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.4 ptm -138.45 169.14 18.31 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.175 1.39 . . . . 0.0 111.509 173.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.81 128.19 56.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 125.51 1.524 . . . . 0.0 108.627 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 46.0 p -69.51 160.36 31.61 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.141 -0.974 . . . . 0.0 112.987 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 38.7 80.31 0.28 Allowed Pre-proline 0 N--CA 1.483 1.186 0 C-N-CA 128.326 2.651 . . . . 0.0 114.69 176.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -50.22 163.81 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.994 3.796 . . . . 0.0 116.559 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.71 1.77 3.0 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.469 1.908 . . . . 0.0 114.727 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.09 106.46 0.1 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.982 2.113 . . . . 0.0 113.993 -175.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.2 t -75.51 118.72 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.673 1.989 . . . . 0.0 111.934 -172.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.9 p -77.5 162.85 26.83 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.107 1.363 . . . . 0.0 113.206 170.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.9 p -73.01 153.75 90.84 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 124.656 1.182 . . . . 0.0 113.32 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -78.65 175.86 10.55 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 C-N-CA 123.806 3.004 . . . . 0.0 112.535 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -142.73 163.27 39.57 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 126.258 1.823 . . . . 0.0 110.568 171.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -55.95 -19.01 24.23 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.874 3.05 . . . . 0.0 116.909 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.87 -13.83 61.77 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.804 2.041 . . . . 0.0 114.407 173.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -137.89 -14.23 1.41 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.896 1.678 . . . . 0.0 114.095 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.7 139.48 38.91 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.378 1.871 . . . . 0.0 111.122 173.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -55.34 153.09 7.6 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.029 0.932 . . . . 0.0 113.299 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . 0.26 1.1 p-80 50.16 -11.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 130.652 3.581 . . . . 0.0 118.797 -174.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -66.11 -25.91 67.21 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.446 -1.409 . . . . 0.0 112.815 176.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -58.06 -27.77 63.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.282 1.433 . . . . 0.0 113.731 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -64.49 -4.32 3.89 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.977 1.711 . . . . 0.0 114.917 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -12.67 6.06 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 175.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.522 1.929 . . . . 0.0 111.711 -178.113 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 87.5 p -56.98 -27.37 61.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.637 1.575 . . . . 0.0 115.198 -174.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -74.78 -12.06 60.31 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.414 1.486 . . . . 0.0 113.389 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 11.2 tpt 43.69 49.16 6.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.718 2.407 . . . . 0.0 113.823 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 26.9 p -71.24 -34.43 70.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.693 1.197 . . . . 0.0 113.088 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 10.3 tp -80.9 151.64 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 C-N-CA 125.46 1.504 . . . . 0.0 111.799 173.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 58.0 p -150.7 169.94 20.4 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.315 1.446 . . . . 0.0 111.569 169.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -86.68 -3.72 59.08 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.354 1.062 . . . . 0.0 113.457 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -73.04 -12.53 60.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.263 1.425 . . . . 0.0 114.206 -174.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.62 69.67 2.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.915 1.286 . . . . 0.0 111.222 173.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.94 166.35 13.71 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.823 1.649 . . . . 0.0 113.423 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -77.6 173.09 55.12 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.888 1.232 . . . . 0.0 114.975 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -67.06 157.58 33.19 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.805 1.642 . . . . 0.0 112.195 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 29.5 p -71.15 -20.45 62.3 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.843 1.657 . . . . 0.0 115.252 -177.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -178.95 -173.49 44.31 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 119.288 0.949 . . . . 0.0 114.78 -175.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.56 157.82 44.38 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 126.179 1.792 . . . . 0.0 113.345 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -72.62 167.95 25.76 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.45 2.766 . . . . 0.0 114.043 -178.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.32 47.82 0.72 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.323 1.849 . . . . 0.0 110.592 169.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 11.0 mp 60.6 -1.94 0.2 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 130.237 3.415 . . . . 0.0 116.669 -173.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 21.0 p -59.37 -54.77 42.89 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.95 1.7 . . . . 0.0 113.904 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 49.9 m -100.01 7.05 45.02 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.733 1.613 . . . . 0.0 113.635 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 25.1 tpp -71.4 135.21 47.15 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.725 1.61 . . . . 0.0 112.761 -175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 44.9 p -78.65 156.15 29.16 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.36 0.664 . . . . 0.0 109.764 169.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.57 -39.82 89.43 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.954 -1.091 . . . . 0.0 112.483 -175.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -62.28 -42.44 99.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.606 1.162 . . . . 0.0 112.761 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.22 -34.82 71.17 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.366 -0.833 . . . . 0.0 112.101 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -60.91 -46.72 89.53 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.793 1.237 . . . . 0.0 111.269 172.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.37 -51.8 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.835 1.654 . . . . 0.0 111.238 170.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -61.53 -34.36 75.41 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.98 -1.075 . . . . 0.0 113.333 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -61.02 -43.38 98.97 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.227 1.011 . . . . 0.0 111.841 170.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . 0.424 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -59.73 -48.16 82.8 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.993 0.917 . . . . 0.0 112.61 171.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 50.6 mtt -53.59 -51.37 63.24 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.015 1.326 . . . . 0.0 112.112 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -55.32 -43.25 74.75 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.732 1.151 . . . . 0.0 113.404 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 75.3 mtm -66.23 -44.29 84.19 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.881 -0.512 . . . . 0.0 111.935 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 7.7 t -57.08 -40.68 77.38 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.025 1.33 . . . . 0.0 113.383 174.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.91 -36.84 70.64 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.537 2.335 . . . . 0.0 112.851 172.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -68.5 -26.57 65.52 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.116 -0.99 . . . . 0.0 113.175 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -74.94 -14.96 81.25 Favored Glycine 0 CA--C 1.539 1.585 0 O-C-N 121.511 -0.743 . . . . 0.0 113.4 169.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -100.58 -131.77 0.25 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.916 2.486 . . . . 0.0 111.452 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -85.2 17.82 2.86 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.436 2.295 . . . . 0.0 113.216 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 63.97 11.96 6.49 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.697 2.399 . . . . 0.0 114.859 -174.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 82.42 11.45 82.02 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.664 1.126 . . . . 0.0 115.698 173.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -56.79 -18.93 14.57 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.182 1.793 . . . . 0.0 115.327 -172.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -129.62 12.55 5.87 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.367 1.867 . . . . 0.0 113.541 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -109.67 -2.57 17.37 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -169.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 55.7 m -64.73 95.25 0.14 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.761 1.624 . . . . 0.0 113.805 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -77.55 -16.41 58.68 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.056 1.342 . . . . 0.0 114.505 176.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.254 1.316 0 C-N-CA 126.358 1.863 . . . . 0.0 114.401 -178.467 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 ttp . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 121.507 0.67 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -86.62 82.55 7.86 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 124.711 1.204 . . . . 0.0 111.611 -173.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -67.61 134.96 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.827 1.251 . . . . 0.0 109.759 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 m -80.04 132.43 35.99 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.457 -0.777 . . . . 0.0 109.846 169.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.18 148.29 28.06 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.164 1.385 . . . . 0.0 110.841 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -136.44 127.5 27.84 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.95 1.7 . . . . 0.0 111.385 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -87.53 164.38 16.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.298 1.439 . . . . 0.0 111.643 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.66 -19.38 63.61 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.921 -1.112 . . . . 0.0 113.518 171.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -76.0 5.45 6.58 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.815 1.246 . . . . 0.0 111.858 169.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 64.11 24.59 13.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.327 2.651 . . . . 0.0 113.692 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -88.93 151.69 22.17 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.123 0.969 . . . . 0.0 109.726 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.1 p -131.89 141.43 49.37 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.042 0.925 . . . . 0.0 112.832 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -146.69 -173.11 4.13 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.724 2.41 . . . . 0.0 109.626 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -134.27 157.98 44.92 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.872 -1.142 . . . . 0.0 111.578 169.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mm -135.07 115.46 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.592 1.957 . . . . 0.0 108.899 175.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -79.51 97.84 6.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.064 0.546 . . . . 0.0 110.355 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 18' ' ' ASP . 4.2 tp -113.59 148.32 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.669 1.988 . . . . 0.0 111.526 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' H ' HD12 ' A' ' 17' ' ' ILE . 15.6 t0 -77.97 116.34 57.78 Favored Pre-proline 0 CA--C 1.555 1.168 0 O-C-N 121.148 -0.97 . . . . 0.0 111.515 173.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.78 -13.74 24.34 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.745 2.963 . . . . 0.0 114.991 -175.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -84.44 -17.0 40.63 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.655 1.116 . . . . 0.0 112.54 174.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -74.47 168.31 19.99 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.092 0.949 . . . . 0.0 111.474 169.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 72.3 p -81.21 171.03 15.37 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.295 -0.878 . . . . 0.0 113.114 176.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.93 -28.66 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.565 1.146 . . . . 0.0 112.062 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -46.95 -47.93 21.62 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.341 0.973 . . . . 0.0 110.948 169.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.31 -34.65 77.81 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 tp -56.53 -55.7 30.56 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.517 -1.364 . . . . 0.0 109.775 169.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -56.0 -40.8 73.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.208 1.403 . . . . 0.0 114.091 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -65.8 -40.56 92.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.431 1.093 . . . . 0.0 112.551 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.97 -38.8 86.74 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.272 0.629 . . . . 0.0 112.094 174.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.26 -48.95 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.756 0.822 . . . . 0.0 110.991 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.15 -43.04 82.13 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.472 0.709 . . . . 0.0 111.202 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.2 m -63.3 -46.96 84.31 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.814 1.245 . . . . 0.0 112.944 176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -68.88 -57.81 5.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.018 1.327 . . . . 0.0 112.245 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -81.49 -16.88 50.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.714 1.206 . . . . 0.0 113.777 -172.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.7 143.38 7.64 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 126.66 2.076 . . . . 0.0 112.073 -171.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -68.52 -14.14 62.8 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.39 -42.03 98.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.498 -0.751 . . . . 0.0 111.092 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.06 -51.29 8.16 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.794 1.238 . . . . 0.0 112.091 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -138.26 70.3 47.54 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 125.113 1.365 . . . . 0.0 112.467 -171.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -67.74 138.01 43.75 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.174 2.583 . . . . 0.0 109.138 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -48.07 -44.99 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 CA-C-N 121.051 1.75 . . . . 0.0 113.465 -172.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.62 79.38 Favored 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.13 -35.89 47.69 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.915 1.245 . . . . 0.0 113.553 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -58.76 139.06 56.76 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.357 2.263 . . . . 0.0 110.993 172.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -130.24 154.53 47.49 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.593 1.557 . . . . 0.0 110.322 169.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.29 123.54 28.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.804 2.041 . . . . 0.0 110.736 -169.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.85 124.87 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.191 1.397 . . . . 0.0 110.408 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HB3' HD21 ' A' ' 53' ' ' LEU . 64.9 t80 -132.47 141.92 49.01 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.309 1.444 . . . . 0.0 111.91 175.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 49.45 25.26 1.29 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.36 1.464 . . . . 0.0 114.21 -173.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.45 13.86 82.78 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 126.117 1.818 . . . . 0.0 116.024 -174.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -122.17 141.76 51.11 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.193 1.497 . . . . 0.0 111.705 174.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.28 124.18 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 123.76 0.824 . . . . 0.0 110.583 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 48' ' ' TYR . 31.6 mt -68.4 119.07 12.32 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.648 1.579 . . . . 0.0 110.745 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -68.3 120.49 14.51 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.936 0.895 . . . . 0.0 110.689 176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.28 -29.18 57.63 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -175.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -88.13 -18.61 28.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.741 1.216 . . . . 0.0 113.478 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.9 m -81.71 153.83 26.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.188 1.395 . . . . 0.0 110.92 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -81.0 156.46 25.9 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.879 -1.138 . . . . 0.0 113.871 -177.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.93 -34.9 79.51 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.767 0.827 . . . . 0.0 112.452 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -52.03 -33.63 39.49 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.642 1.977 . . . . 0.0 113.802 173.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.64 -18.29 64.91 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.993 1.317 . . . . 0.0 114.088 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.93 -3.12 14.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.241 1.416 . . . . 0.0 112.385 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt 51.19 33.01 8.74 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.613 2.365 . . . . 0.0 114.355 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 64' ' ' ILE . 8.8 mt -58.45 144.28 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.535 1.534 . . . . 0.0 109.065 172.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -133.49 159.74 39.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.112 1.365 . . . . 0.0 111.238 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.19 -32.09 72.69 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.684 0.793 . . . . 0.0 113.004 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -70.33 -17.18 63.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.627 1.571 . . . . 0.0 113.953 175.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -103.96 165.82 10.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.12 1.368 . . . . 0.0 111.554 -175.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -108.4 159.75 16.42 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.22 1.008 . . . . 0.0 112.153 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.79 157.25 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 127.07 2.148 . . . . 0.0 108.701 170.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.8 t -108.68 129.81 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 122.845 0.458 . . . . 0.0 110.142 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -118.72 140.22 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.444 1.497 . . . . 0.0 110.905 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.0 ptm -141.81 171.67 13.75 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.751 1.62 . . . . 0.0 111.646 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.1 p -129.37 99.18 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.727 1.211 . . . . 0.0 110.254 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.7 p -70.06 137.91 51.63 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.52 1.128 . . . . 0.0 112.068 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -151.11 153.78 33.26 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 125.174 1.389 . . . . 0.0 111.771 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -57.62 168.49 3.08 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.807 3.005 . . . . 0.0 114.746 170.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HE3' ' O ' ' B' ' 281' ' ' MET . 74.4 mmtt -122.39 -2.59 8.98 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.185 1.794 . . . . 0.0 113.645 170.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 53.54 25.89 5.18 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.894 2.478 . . . . 0.0 115.916 177.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.4 m -130.38 -42.55 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 125.683 1.593 . . . . 0.0 113.286 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.3 m -134.91 -9.89 2.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.03 1.332 . . . . 0.0 114.183 -177.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 p -73.06 156.4 89.58 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 125.358 1.463 . . . . 0.0 112.408 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -73.81 177.55 7.96 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.529 2.819 . . . . 0.0 114.473 -171.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.99 165.93 3.01 Favored Pre-proline 0 CA--C 1.557 1.218 0 C-N-CA 126.509 1.924 . . . . 0.0 113.431 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.02 152.75 17.33 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 124.013 3.142 . . . . 0.0 115.175 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.88 -15.78 63.78 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.5 m -60.02 111.41 1.48 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.768 1.627 . . . . 0.0 110.868 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.81 -8.48 36.33 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 115.305 1.594 . . . . 0.0 115.305 -169.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -137.2 140.5 41.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.091 1.356 . . . . 0.0 112.046 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 33.01 53.1 0.36 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 129.286 3.034 . . . . 0.0 116.205 172.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -73.35 42.97 0.13 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.212 1.805 . . . . 0.0 114.13 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -54.02 -21.75 8.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.601 2.36 . . . . 0.0 115.045 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -58.87 -19.06 38.51 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.7 1.6 . . . . 0.0 113.875 172.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -60.1 -27.79 67.31 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.739 1.616 . . . . 0.0 114.546 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.55 1.54 . . . . 0.0 113.733 -173.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.512 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 43.3 m -139.88 167.53 21.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.398 1.479 . . . . 0.0 111.943 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -73.13 -15.26 61.48 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 21.9 mmt 43.25 66.93 0.71 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 128.075 2.55 . . . . 0.0 114.727 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 7.6 t -58.65 -22.98 58.23 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.14 -10.6 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 C-N-CA 125.36 1.464 . . . . 0.0 114.727 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 69.7 m -77.71 61.84 2.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.326 1.45 . . . . 0.0 111.96 175.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.82 153.65 41.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.523 1.529 . . . . 0.0 112.507 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -68.85 158.51 34.33 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.039 1.336 . . . . 0.0 113.48 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -82.33 102.35 11.16 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.882 1.273 . . . . 0.0 110.089 169.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -72.94 -9.76 59.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.73 0.29 Allowed Glycine 0 CA--C 1.543 1.796 0 C-N-CA 126.942 2.211 . . . . 0.0 116.988 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -73.33 -6.14 44.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.682 2.393 . . . . 0.0 114.423 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 23.7 p -64.2 168.03 5.94 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.004 2.121 . . . . 0.0 113.979 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -138.56 -179.89 17.72 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.99 1.757 . . . . 0.0 113.595 178.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.96 159.68 74.6 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 124.993 1.317 . . . . 0.0 112.567 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -63.97 171.35 7.53 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.45 2.767 . . . . 0.0 114.625 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -80.18 50.77 1.29 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.737 1.615 . . . . 0.0 110.148 168.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 8.6 mp 64.27 8.11 3.95 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 129.138 2.975 . . . . 0.0 115.558 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 60.6 p -61.23 -58.36 8.62 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 90.0 p -100.73 -12.99 18.66 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -175.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . 0.415 ' O ' ' HE3' ' A' ' 78' ' ' LYS . 71.3 mtm -63.26 141.25 58.84 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.143 0.883 . . . . 0.0 112.574 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 30.8 p -65.25 169.75 5.37 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.968 0.89 . . . . 0.0 112.201 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.14 -39.38 82.21 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.809 -1.182 . . . . 0.0 111.783 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.97 -41.39 82.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.503 1.121 . . . . 0.0 112.669 176.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -64.44 -42.47 95.96 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.385 -0.822 . . . . 0.0 112.074 174.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -60.98 -44.97 96.59 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.852 0.861 . . . . 0.0 112.11 172.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.01 -51.56 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.818 0.847 . . . . 0.0 111.139 170.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.13 74.52 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.983 -1.073 . . . . 0.0 113.492 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -62.92 -43.69 98.1 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.202 -0.936 . . . . 0.0 111.83 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.54 85.22 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.613 0.765 . . . . 0.0 112.232 172.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 45.3 mtt -56.86 -49.44 75.48 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.826 1.25 . . . . 0.0 111.857 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -58.41 -43.26 88.55 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.85 0.75 . . . . 0.0 112.665 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 54.8 mtm -63.53 -48.55 77.06 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.98 0.809 . . . . 0.0 111.63 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 11.3 t -56.2 -37.79 70.12 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.813 1.645 . . . . 0.0 114.19 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.18 -14.33 47.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.011 1.725 . . . . 0.0 114.17 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -68.35 -28.26 66.98 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.115 -0.99 . . . . 0.0 112.701 172.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -76.53 -16.75 80.48 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.224 0.916 . . . . 0.0 113.55 170.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -84.18 -73.94 0.4 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.483 1.513 . . . . 0.0 111.16 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -145.3 -20.38 0.48 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -173.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -77.72 -11.09 59.84 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -169.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -61.66 -22.42 61.78 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 119.418 1.008 . . . . 0.0 114.818 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -77.24 -14.03 59.83 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.328 1.451 . . . . 0.0 114.68 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . 56.69 -19.29 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 129.377 3.071 . . . . 0.0 117.86 -173.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.22 -12.48 20.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.94 1.696 . . . . 0.0 115.001 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 6.1 t -69.7 -13.76 62.46 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.601 1.16 . . . . 0.0 113.845 172.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -69.59 174.44 5.01 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.194 1.398 . . . . 0.0 113.769 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 31.9 t70 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 127.122 2.169 . . . . 0.0 112.63 178.272 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 ttp . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.34 78.41 6.46 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.635 1.174 . . . . 0.0 110.935 -171.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.3 134.4 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.9 1.28 . . . . 0.0 109.928 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.2 m -81.28 133.04 35.37 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 169.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.75 150.66 27.28 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.687 1.595 . . . . 0.0 110.513 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -138.78 139.73 38.36 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.726 1.611 . . . . 0.0 111.555 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 p -103.61 164.42 11.68 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.306 1.442 . . . . 0.0 112.221 -176.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' B' ' 290' ' ' ALA . 20.7 mt -69.84 -18.87 63.46 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 172.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -81.87 9.39 8.21 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.967 1.707 . . . . 0.0 112.677 169.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 65.49 22.39 11.84 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.296 2.238 . . . . 0.0 114.247 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -89.13 150.66 22.61 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.665 0.786 . . . . 0.0 109.668 174.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.7 p -132.85 138.06 46.92 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.804 0.842 . . . . 0.0 111.61 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -142.63 -175.86 4.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.814 2.046 . . . . 0.0 110.165 -173.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 151.22 52.08 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.199 -0.938 . . . . 0.0 111.777 169.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 mm -133.78 108.88 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 126.853 2.061 . . . . 0.0 108.996 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -77.93 95.86 4.88 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 122.968 0.507 . . . . 0.0 110.097 170.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.6 tp -114.08 148.11 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.688 1.995 . . . . 0.0 110.723 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -75.91 120.72 82.91 Favored Pre-proline 0 CA--C 1.555 1.152 0 O-C-N 120.985 -1.072 . . . . 0.0 111.004 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.8 -14.33 17.41 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.264 2.643 . . . . 0.0 114.876 -172.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.07 -22.39 49.13 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.38 0.991 . . . . 0.0 111.25 169.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.2 179.12 3.49 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.017 1.727 . . . . 0.0 112.741 169.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 43.7 p -101.65 174.53 5.92 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -169.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 53' ' ' LEU . 61.7 t -63.02 -33.69 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.794 0.838 . . . . 0.0 111.2 172.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.45 -39.86 89.05 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.999 -1.063 . . . . 0.0 111.483 169.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.83 90.28 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 172.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.5 -55.47 28.78 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.652 -1.28 . . . . 0.0 110.78 169.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -50.82 -42.25 58.22 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.889 0.876 . . . . 0.0 113.345 170.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -49.84 75.53 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.44 1.096 . . . . 0.0 112.409 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -65.14 -37.57 87.85 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.7 0.8 . . . . 0.0 112.573 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.94 -49.38 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.33 0.968 . . . . 0.0 110.741 171.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.24 -43.97 92.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.808 0.843 . . . . 0.0 111.817 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -60.52 -52.99 62.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.564 1.546 . . . . 0.0 112.379 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -75.1 -49.87 18.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.938 1.295 . . . . 0.0 113.081 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -87.3 -17.45 32.44 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.713 1.205 . . . . 0.0 113.672 -175.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.08 131.71 5.9 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.427 1.965 . . . . 0.0 113.316 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -56.94 -21.35 29.41 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.975 2.51 . . . . 0.0 114.523 173.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.29 -32.0 69.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.285 1.434 . . . . 0.0 112.846 169.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.02 -36.49 4.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.436 1.495 . . . . 0.0 113.019 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -136.5 71.32 59.38 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.614 1.566 . . . . 0.0 112.074 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.35 143.88 44.48 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.538 2.159 . . . . 0.0 110.535 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.2 t -51.08 -45.96 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 124.756 1.222 . . . . 0.0 111.993 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.6 -21.09 66.13 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.48 -24.93 9.04 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.981 1.277 . . . . 0.0 113.849 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -67.7 149.26 50.22 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.737 1.215 . . . . 0.0 113.557 176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -136.25 144.93 45.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.448 2.299 . . . . 0.0 108.388 168.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.1 125.32 42.36 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.446 1.498 . . . . 0.0 110.428 -169.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mp -132.06 120.36 43.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.152 1.381 . . . . 0.0 110.216 -169.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -127.65 148.9 50.39 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.538 1.135 . . . . 0.0 111.328 170.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 48.69 31.36 2.99 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.848 1.259 . . . . 0.0 113.501 -174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.43 16.93 74.01 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.123 1.82 . . . . 0.0 116.244 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -128.28 143.29 51.01 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.584 1.692 . . . . 0.0 112.364 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -71.97 127.24 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 124.171 0.988 . . . . 0.0 110.444 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HB3' HG21 ' A' ' 23' ' ' VAL . 45.4 mt -76.54 137.51 39.63 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.534 1.533 . . . . 0.0 111.755 -177.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -73.54 120.54 19.29 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.362 1.065 . . . . 0.0 110.808 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -53.63 -38.42 64.04 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -80.17 -20.31 45.11 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.6 m -77.71 142.59 38.67 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.196 -0.94 . . . . 0.0 110.885 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 22' ' ' THR . . . -74.67 154.65 38.38 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.472 0.915 . . . . 0.0 113.472 -177.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.54 -31.36 72.03 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.314 -0.866 . . . . 0.0 113.289 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -47.94 -40.94 23.56 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.194 1.797 . . . . 0.0 112.858 170.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.42 -19.52 65.82 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.615 1.566 . . . . 0.0 113.775 -174.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -107.73 -3.02 19.53 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.057 1.743 . . . . 0.0 112.958 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt 44.63 38.32 2.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.336 2.655 . . . . 0.0 115.401 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 54.7 mt -57.32 138.68 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.62 1.568 . . . . 0.0 109.74 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -106.83 157.0 18.08 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.581 1.152 . . . . 0.0 111.288 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -73.17 -33.41 65.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.721 0.808 . . . . 0.0 112.744 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.71 -34.82 34.24 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.823 1.649 . . . . 0.0 112.513 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -68.23 162.95 23.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.649 0.78 . . . . 0.0 109.877 169.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -117.18 140.91 48.94 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.646 0.736 . . . . 0.0 112.649 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.5 160.38 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.657 1.583 . . . . 0.0 109.039 170.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -110.46 122.27 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.394 0.616 . . . . 0.0 110.091 172.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -105.81 138.15 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 125.117 1.367 . . . . 0.0 109.573 170.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.6 ptm -132.49 159.89 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.529 1.132 . . . . 0.0 110.581 169.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.34 125.44 43.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 124.841 1.257 . . . . 0.0 109.065 176.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.1 p -70.6 155.83 40.23 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -172.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -77.92 -19.58 0.31 Allowed Pre-proline 0 CA--C 1.553 1.06 0 N-CA-C 119.482 3.142 . . . . 0.0 119.482 -171.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.56 159.31 8.81 Favored 'Trans proline' 0 C--N 1.356 0.94 0 CA-C-N 123.697 2.356 . . . . 0.0 116.673 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -125.14 6.93 7.86 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.916 2.086 . . . . 0.0 114.338 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 53.58 -155.4 0.22 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.691 1.596 . . . . 0.0 113.089 -173.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.61 -16.23 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 126.554 1.942 . . . . 0.0 115.557 -175.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.8 m -60.0 132.61 54.48 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.081 1.352 . . . . 0.0 112.913 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.3 p -67.3 161.86 60.52 Favored Pre-proline 0 N--CA 1.477 0.899 0 C-N-CA 123.849 0.86 . . . . 0.0 111.531 170.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.96 35.23 0.34 Allowed 'Trans proline' 0 CA--C 1.551 1.373 0 C-N-CA 124.289 3.326 . . . . 0.0 114.058 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.52 158.51 29.77 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 125.891 1.676 . . . . 0.0 112.091 170.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -74.32 80.53 2.21 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.827 3.018 . . . . 0.0 111.926 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 57.24 -15.39 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 130.078 3.351 . . . . 0.0 117.631 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.4 t -69.0 153.73 43.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.203 1.401 . . . . 0.0 113.425 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mp -84.27 -4.87 59.12 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.88 1.672 . . . . 0.0 112.606 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -74.51 66.39 1.38 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.13 1.372 . . . . 0.0 111.982 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -68.95 -13.64 62.56 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.804 1.641 . . . . 0.0 114.298 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 63.56 -26.75 0.07 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 129.691 3.197 . . . . 0.0 117.866 169.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -143.85 166.81 23.89 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.909 1.284 . . . . 0.0 113.692 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -78.58 173.66 12.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.631 1.572 . . . . 0.0 112.407 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -139.19 173.7 11.28 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.897 1.679 . . . . 0.0 112.059 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 70.9 t60 . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.216 1.406 . . . . 0.0 111.898 170.397 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 260' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 261' ' ' SER . . . . . . . . . . . . . 60.2 p -67.11 165.75 15.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.755 1.222 . . . . 0.0 113.374 175.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 262' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -147.24 171.13 15.88 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.882 1.673 . . . . 0.0 111.004 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 263' ' ' MET . . . . . . . . . . . . . 20.4 ttt 49.04 47.37 21.92 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.271 1.829 . . . . 0.0 113.251 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 264' ' ' THR . . . . . . . . . . . . . 18.2 p -76.58 52.08 0.78 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.447 2.299 . . . . 0.0 113.294 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 265' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -15.11 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.618 1.567 . . . . 0.0 114.68 -177.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 266' ' ' SER . . . . . . . . . . . . . 18.3 m -57.12 -16.45 7.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.368 1.867 . . . . 0.0 114.456 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 267' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -65.83 -17.72 64.84 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.09 1.756 . . . . 0.0 114.048 172.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 268' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -74.39 70.63 1.72 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.605 1.562 . . . . 0.0 112.304 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 269' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.94 -9.2 58.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.034 1.334 . . . . 0.0 114.3 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 270' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -67.14 160.37 26.94 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.982 1.713 . . . . 0.0 113.819 -172.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 271' ' ' GLY . . . . . . . . . . . . . . . 167.25 178.65 39.68 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.546 1.546 . . . . 0.0 112.927 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 272' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -63.54 143.39 57.86 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.123 0.969 . . . . 0.0 112.306 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 273' ' ' THR . . . . . . . . . . . . . 42.1 p -112.52 -19.79 11.98 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.421 1.488 . . . . 0.0 113.502 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 155.94 170.91 21.79 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.313 1.911 . . . . 0.0 112.682 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 275' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.95 127.86 80.58 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 124.676 1.19 . . . . 0.0 110.083 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 276' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.98 173.3 1.84 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.628 2.885 . . . . 0.0 115.107 175.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 277' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.31 51.22 1.17 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.152 1.381 . . . . 0.0 109.536 168.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 278' ' ' LEU . . . . . . . . . . . . . 10.4 mp 57.91 1.47 0.14 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 129.773 3.229 . . . . 0.0 115.969 -169.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 279' ' ' SER . . . . . . . . . . . . . 25.5 t -52.22 -60.26 3.42 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.077 1.751 . . . . 0.0 114.614 -171.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 280' ' ' SER . . . . . . . . . . . . . 70.7 p -100.31 -7.02 24.99 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 281' ' ' MET . . . . . . . . . . . . . 59.3 mtm -64.88 129.78 41.02 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.028 0.931 . . . . 0.0 112.746 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 282' ' ' THR . . . . . . . . . . . . . 48.1 p -64.36 172.43 2.55 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.676 0.79 . . . . 0.0 111.704 169.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 283' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -56.78 -41.06 77.01 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.092 -1.005 . . . . 0.0 111.907 172.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 284' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -68.32 -38.15 81.29 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.791 0.836 . . . . 0.0 112.982 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 285' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -67.66 -40.62 84.49 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.946 -1.096 . . . . 0.0 112.248 173.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 286' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.24 -43.54 95.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.4 1.08 . . . . 0.0 111.888 171.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 287' ' ' ILE . . . . . . . . . . . . . 40.3 mt -55.93 -53.4 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.172 0.989 . . . . 0.0 110.72 169.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 288' ' ' ALA . . . . . . . . . . . . . . . -60.79 -35.03 75.44 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.648 1.113 . . . . 0.0 113.236 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 289' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -59.68 -47.6 85.0 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.366 1.067 . . . . 0.0 111.283 170.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 290' ' ' ALA . . . . . 0.425 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -60.15 -41.71 93.33 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.235 1.014 . . . . 0.0 113.242 172.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 291' ' ' MET . . . . . . . . . . . . . 41.5 mtt -60.1 -52.84 63.64 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.142 1.377 . . . . 0.0 111.954 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 292' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -54.6 -48.37 72.27 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.748 0.819 . . . . 0.0 111.859 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 293' ' ' MET . . . . . . . . . . . . . 27.8 ttm -56.82 -49.23 76.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.206 1.002 . . . . 0.0 111.638 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 294' ' ' SER . . . . . . . . . . . . . 37.0 t -61.18 -41.34 96.61 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.994 2.118 . . . . 0.0 114.985 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 295' ' ' LEU . . . . . . . . . . . . . 79.7 mt -51.83 -43.7 63.26 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.245 0.929 . . . . 0.0 111.09 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 296' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -75.03 -45.32 42.52 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.469 1.108 . . . . 0.0 112.825 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 297' ' ' GLY . . . . . . . . . . . . . . . -61.68 -26.21 66.5 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.821 0.725 . . . . 0.0 114.847 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -75.16 -81.33 0.08 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.418 1.887 . . . . 0.0 112.239 169.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 299' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -152.52 18.0 0.62 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -169.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 300' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 56.88 48.94 15.0 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.755 1.622 . . . . 0.0 111.879 -169.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 170.95 174.33 38.72 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.83 1.681 . . . . 0.0 113.184 177.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 302' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -77.08 174.21 10.93 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.975 1.31 . . . . 0.0 111.164 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 303' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.23 7.78 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 304' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -137.09 -55.57 0.71 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.849 1.66 . . . . 0.0 111.146 171.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 305' ' ' SER . . . . . . . . . . . . . 49.9 m -71.48 87.44 0.88 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.189 1.395 . . . . 0.0 112.519 175.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -136.61 171.79 13.97 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.841 1.657 . . . . 0.0 112.439 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 36.1 t70 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.054 1.742 . . . . 0.0 114.131 177.582 . . . . . . . . 0 0 . 1 stop_ save_